SCHEMBL7658230

SCHEMBL7658230

CC(C)CC(N)C(=O)NCc1nn(-c2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ LARS1 Q9P2J5 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MMP8 P22894 1/20 0.41
▸ RARG P13631 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ CARM1 Q86X55 4/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ SMO Q99835 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ USP7 Q93009 1/20 0.39
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL4743866 0.78 KMT2A (0.59) LARS1MMP8ALDH1A1ANPEP
SCHEMBL22522245 0.78 KMT2A (0.59) LARS1MMP8ALDH1A1ANPEP
SCHEMBL1792751 0.78 KMT2A (0.59) LARS1MMP8ALDH1A1ANPEP
Hydrochloric Acid SCHEMBL10520633 0.76 KMT2A (0.58) LARS1MMP8ALDH1A1ANPEP
Acetic Acid SCHEMBL11135238 0.75 ALDH1A1 (0.56) LARS1MMP8ALDH1A1ANPEP
SCHEMBL25747721 0.75 RARG (0.48) LMNARARGRORCADORA3ALDH1A1
SCHEMBL25747720 0.74 RARG (0.47) CYP3A4TSHRHPGDRARGRORC
SCHEMBL25747719 0.74 RARG (0.45) LMNAHPGDRARGRORCADORA3
SCHEMBL7371699 0.72 ALDH1A1 (0.52) LARS1HPGDMMP8ALDH1A1ANPEP
SCHEMBL15623810 0.71 ERAP2 (0.53) LARS1MMP8ANPEP

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-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 — — US disclosed
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