SCHEMBL11752052

SCHEMBL11752052

CCOC(=O)n1nc2ccc(Cl)cc2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.46
▸ ELANE P08246 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ IDE P14735 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP7 P55210 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
SCHEMBL11748058 0.89 IDE (0.47) ADORA2AELANEALDH1A1TSHRMAPK1
SCHEMBL11751783 0.81 MAPT (0.42) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL11752876 0.80 TSHR (0.47) ELANEALDH1A1TSHRMAPK1KMT2A
SCHEMBL11752029 0.80 MAPT (0.51) ELANEALDH1A1MEN1KMT2ALMNA
SCHEMBL11756528 0.79 ALDH1A1 (0.45) ADORA2AALDH1A1TSHRKMT2ALMNA
SCHEMBL11755931 0.78 ELANE (0.51) ADORA2AELANEALDH1A1TSHRMAPK1
SCHEMBL11754684 0.77 ABCB1 (0.47) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL11751308 0.76 ADORA2A (0.49) ADORA2AELANEALDH1A1TSHRMAPK1
SCHEMBL11747559 0.75 KMT2A (0.42) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL17683271 0.74 ELANE (0.52) ELANEALDH1A1TSHRMAPK10MAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US claimed
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