SCHEMBL7418588

SCHEMBL7418588

O=C(Nc1ccc(C2(C(=O)c3cccnc3)CC2)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
HDAC1 Q13547 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
ABL1 P00519 1/20 0.41
OPRM1 P35372 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7416926 0.79 MAPT (0.50) PLOD2PLOD3PLOD1ALDH1A1NPC1
SCHEMBL7416558 0.78 ALDH1A1 (0.53) PLOD2HDAC1ALDH1A1KMT2ALMNA
SCHEMBL7413719 0.77 F7 (0.47) PLOD2HDAC1ALDH1A1KMT2ATSHR
SCHEMBL7418585 0.74 PLOD2 (0.39) PLOD2PLOD3PLOD1HDAC1ALDH1A1
SCHEMBL22920041 0.73 L3MBTL1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7412060 0.73 MAPT (0.55) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL28059851 0.72 AKR1C1 (0.53) PLOD2ALDH1A1MEN1KMT2ALMNA
SCHEMBL12977958 0.68 TRPV1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AABL1
SCHEMBL7415701 0.68 HDAC1 (0.41) HDAC1ALDH1A1SMN1; SMN2TSHR
SCHEMBL11161284 0.68 ROCK2 (0.66) ROCK2ROCK1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed