SCHEMBL21394867

SCHEMBL21394867

Cn1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
F10 P00742 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29357020 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL29357084 0.88 RAB9A (0.67) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL21394817 0.88 RAB9A (0.67) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL21394824 0.86 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL29357599 0.86 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL21394760 0.85 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL29354586 0.85 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL21394883 0.84 MEN1 (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL29356651 0.84 MEN1 (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL21394690 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TSHRMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed