SCHEMBL13624165

SCHEMBL13624165

CC(C)Cc1ccc(C(C)C(=O)Nc2ccc3[nH]c(-c4cscn4)nc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.45
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
CHRM1 P11229 1/20 0.42
PDE4A P27815 1/20 0.42
METAP1 P53582 6/20 0.42
FAAH O00519 1/20 0.42
METAP2 P50579 5/20 0.41
KDM4E B2RXH2 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
SCHEMBL4366820 0.89 METAP1 (0.45) MAPTSMN1; SMN2CRHBPCRHR2GAA
SCHEMBL13624164 0.88 METAP1 (0.50) SMN1; SMN2RAB9ALMNACA12CA1
SCHEMBL4379262 0.88 METAP1 (0.50) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL13624163 0.88 METAP1 (0.50) SMN1; SMN2RAB9ALMNACA12CA1
SCHEMBL4379056 0.88 METAP1 (0.50) SMN1; SMN2RAB9ALMNACA12CA1
SCHEMBL4367982 0.88 METAP1 (0.50) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL4366074 0.88 METAP1 (0.50) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL4366722 0.85 METAP1 (0.55) MAPTSMN1; SMN2CRHBPCRHR2GAA
SCHEMBL4368752 0.82 KDR (0.46) MAPTSMN1; SMN2RAB9AMETAP1METAP2
SCHEMBL4368578 0.81 METAP1 (0.58) MAPTSMN1; SMN2RAB9ACA12CA1

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
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed