SCHEMBL3999997

SCHEMBL3999997

CCCCOc1ccc(Cl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 2/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8983576 0.98 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL3994479 0.94 CYP3A4 (0.49) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL14382312 0.93 CYP3A4 (0.51) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL1568984 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL2006083 0.82 MAPT (0.52) NPC1RAB9ASMN1; SMN2HSD17B10POLB
SCHEMBL7876171 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL20381746 0.78 MAPT (0.44) NPC1RAB9AHSD17B10MEN1KMT2A
SCHEMBL8353939 0.78 KDM4E (0.42) RAB9AMEN1KMT2APOLBMAPK1
SCHEMBL16466281 0.78 APP (0.40) MEN1KMT2APOLBMAPT
SCHEMBL3104534 0.77 KDM4E (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591624-B1 Process for the preparation of pure 2,5-dichloropyridine and the isolation of 2,3-dichloropyridine which is formed as a by-product RUETGERSWERKE AG (DE) 1996-06-05 EP claimed
US-5380862-A Preparation of isomer-free 2,5-dichloro-pyridine RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1995-01-10 US claimed
EP-0591624-A1 Process for the preparation of pure 2,5-dichloropyridine and the isolation of 2,3-dichloropyridine which is formed as a by-product RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1994-04-13 EP claimed
CN-118307468-A Method for preparing 2, 3-dichloropyridine 利尔化学股份有限公司 2024-07-09 CN disclosed
CN-117358270-A Catalyst for synthesizing 2,3-dichloropyridine and preparation method and application thereof 利尔化学股份有限公司 2024-01-09 CN disclosed
CN-113292486-A One-pot synthesis method of 2, 3-dichloropyridine 安徽星宇化工有限公司 2021-08-24 CN disclosed
CN-109721529-B Simple preparation method of 2, 5-dichloropyridine 新发药业有限公司 2020-09-01 CN disclosed
CN-109721529-A A kind of simple and convenient process for preparing of 2,5- dichloropyridine 新发药业有限公司 2019-05-07 CN disclosed
WO-2015129813-A1 DEUTERATION METHOD AND DEUTERATION CATALYST 国立大学法人 長崎大学 2015-09-03 WO disclosed
EP-2080758-A2 Halogen substituted delta-1-pyrrolines Bayer CropScience AG (DE) 2009-07-22 EP disclosed
EP-2080758-A2 Halogen substituted delta-1-pyrrolines Bayer CropScience AG (DE) 2009-07-22 EP disclosed
WO-2009068194-A2 HALOGEN-SUBSTITUTED Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2009-06-04 WO disclosed
WO-2009068194-A2 HALOGEN-SUBSTITUTED Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2009-06-04 WO disclosed
EP-0591624-B1 Process for the preparation of pure 2,5-dichloropyridine and the isolation of 2,3-dichloropyridine which is formed as a by-product RUETGERSWERKE AG (DE) 1996-06-05 EP disclosed
US-5380862-A Preparation of isomer-free 2,5-dichloro-pyridine RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0591624-A1 Process for the preparation of pure 2,5-dichloropyridine and the isolation of 2,3-dichloropyridine which is formed as a by-product RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1994-04-13 EP disclosed