SCHEMBL4034552

SCHEMBL4034552

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2cc(F)cc(F)c2)Nc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTR2B P41595 1/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MLLT1 Q03111 1/20 0.38
EPHX1 P07099 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
METAP2 P50579 2/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL4038973 0.91 NPC1 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4042940 0.88 TSHR (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4040697 0.86 NPC1 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4037071 0.84 EPHX1 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4040005 0.84 KMT2A (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4039101 0.84 NR1H4 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4042732 0.84 NR1H4 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4037453 0.84 EPHX1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4044551 0.84 CYP3A4 (0.42) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4044492 0.84 KMT2A (0.42) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed