SCHEMBL2912392

SCHEMBL2912392

O=C(NC1CCCCC1)C(C1CCCCC1)C1(Cc2cccc(Cl)c2)Nc2ccc(F)cc2N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
METAP2 P50579 2/20 0.40
METAP1 P53582 1/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MDM2 Q00987 1/20 0.39
GRM5 P41594 3/20 0.38

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
SCHEMBL2912657 0.92 EPHX2 (0.51) EPHX2MAPTALOX12SIGMAR1THRB
SCHEMBL2907076 0.87 LMNA (0.47) MAPTNPC1RAB9AMEN1LMNA
SCHEMBL2912514 0.84 TP53 (0.40) EPHX2THRBNPC1RAB9AMEN1
SCHEMBL3649507 0.84 MEN1 (0.40) EPHX2HPGDNPC1RAB9AMEN1
SCHEMBL3654041 0.83 EPHX1 (0.43) ALOX12THRBNPC1RAB9AMEN1
SCHEMBL2914853 0.82 MEN1 (0.46) HPGDNPC1RAB9AMEN1LMNA
SCHEMBL2912992 0.82 NPC1 (0.45) SIGMAR1NPC1RAB9AMEN1LMNA
SCHEMBL3654661 0.81 RAB9A (0.40) EPHX2NPC1RAB9AMEN1LMNA
SCHEMBL2907586 0.80 EPHX1 (0.41) EPHX2HPGDNPC1RAB9AMEN1
SCHEMBL2914348 0.80 LMNA (0.44) EPHX2MAPTHPGDNPC1RAB9A

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-2222645-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2010-09-01 EP claimed
WO-2009062874-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-22 WO claimed
EP-2222645-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2010-09-01 EP disclosed
WO-2009062874-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-22 WO disclosed