SCHEMBL13624155

SCHEMBL13624155

CC[C@H](C(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.56
METAP2 P50579 5/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC1 Q13547 6/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL4363565 1.00 METAP1 (0.56) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4367511 1.00 METAP1 (0.56) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4366699 0.91 METAP1 (0.54) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4368578 0.89 METAP1 (0.58) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4367996 0.88 METAP1 (0.60) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4368728 0.87 METAP1 (0.59) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4369556 0.87 METAP1 (0.56) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4371250 0.85 METAP1 (0.58) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4371979 0.84 METAP1 (0.55) METAP1METAP2ALDH1A1KDM4ENPC1
SCHEMBL4367716 0.84 METAP1 (0.55) METAP1METAP2ALDH1A1KDM4ENPC1

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