SCHEMBL2909783

SCHEMBL2909783

CCOc1ccc(CC2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3cc(F)c(F)cc3N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 2/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.40

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
SCHEMBL2914348 0.92 LMNA (0.44) LMNARAB9ANPC1ALDH1A1TSHR
SCHEMBL3651170 0.87 NPC1 (0.40) LMNARAB9ANPC1ALDH1A1TSHR
SCHEMBL2914994 0.83 MEN1 (0.48) LMNARAB9ANPC1TSHRMEN1
SCHEMBL3650741 0.83 MAPT (0.47) LMNARAB9ANPC1ALDH1A1TSHR
SCHEMBL3651333 0.83 NPC1 (0.42) LMNARAB9ANPC1ALDH1A1TSHR
SCHEMBL2912844 0.83 LMNA (0.49) LMNARAB9ANPC1ALDH1A1HSD17B10
SCHEMBL3648066 0.81 KMT2A (0.38) RAB9ANPC1ALDH1A1TSHRHSD17B10
SCHEMBL3650434 0.81 KMT2A (0.41) LMNARAB9ANPC1ALDH1A1TSHR
SCHEMBL2912657 0.79 EPHX2 (0.51) LMNARAB9ANPC1TSHRMAPT
SCHEMBL2907586 0.79 EPHX1 (0.41) RAB9ANPC1ALDH1A1TSHRTP53

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