SCHEMBL8601642

SCHEMBL8601642

Nc1cccc2[nH]c(C(F)F)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
POLB P06746 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 3/20 0.53
PARP1 P09874 7/20 0.41
CHEK1 O14757 1/20 0.40
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 1/20 0.35
NUDT1 P36639 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7966359 0.82 MEN1 (0.50) MAPTPOLBTDP1MEN1GAA
SCHEMBL3974683 0.79 POLB (0.53) MAPTPOLBTDP1MEN1GAA
SCHEMBL3287778 0.75 MEN1 (0.58) MAPTPOLBTDP1MEN1GAA
SCHEMBL30291834 0.75 MEN1 (0.58) MAPTPOLBTDP1MEN1GAA
SCHEMBL3969749 0.75 ALDH1A1 (0.49) MAPTPOLBTDP1MEN1GAA
SCHEMBL477289 0.75 ALDH1A1 (0.50) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL12452478 0.75 ALDH1A1 (0.49) MAPTPOLBTDP1KMT2AALDH1A1
SCHEMBL31157033 0.75 ALDH1A1 (0.50) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL3968193 0.75 ALDH1A1 (0.49) POLBGAAALDH1A1PARP1KDM4E
SCHEMBL13673378 0.75 POLB (0.49) MAPTPOLBTDP1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024244972-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2024-12-05 WO disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed