SCHEMBL4038338

SCHEMBL4038338

CC(C(=O)NC1CCCC1)C1(c2cccc3ccccc23)Nc2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.49
METAP2 P50579 3/20 0.43
METAP1 P53582 2/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SHMT2 P34897 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4044346 0.88 EPHX1 (0.47) EPHX1METAP2METAP1POLBKMT2A
SCHEMBL4035092 0.75 HPGD (0.44) EPHX1METAP2METAP1KMT2ASMN1; SMN2
SCHEMBL4042729 0.72 HPGD (0.44) EPHX1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4036690 0.72 TSHR (0.43) POLBKMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4039455 0.71 KMT2A (0.48) POLBKMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4039869 0.71 HPGD (0.45) KMT2AHPGDLMNAL3MBTL1MEN1
SCHEMBL4044888 0.71 KMT2A (0.45) POLBKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4044962 0.71 KMT2A (0.49) EPHX1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL4043366 0.71 TSHR (0.50) POLBKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL4044367 0.70 PKM (0.40) EPHX1POLBKMT2ASMN1; SMN2HPGD

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