SCHEMBL5132698

SCHEMBL5132698

CCCN1CN=C(SCc2ccc(Cl)cc2)NC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 6/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ DAO P14920 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL14286349 0.85 MAPK1 (0.44) HPGDMAPTDAOKMT2AMEN1
SCHEMBL5127715 0.84 ALDH1A1 (0.43) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL19019884 0.83 MAPT (0.43) MAPTTSHRDAOGAATP53
SCHEMBL14286351 0.81 ALDH1A1 (0.48) MAPTKMT2AGAAALDH1A1TP53
Hydrochloric Acid SCHEMBL29837525 0.81 SMN1; SMN2 (0.49) MAPTKMT2AGAAALDH1A1TP53
SCHEMBL20920797 0.80 ALDH1A1 (0.44) TSHRDAOKMT2AMEN1GAA
SCHEMBL19019834 0.79 PLA2G7 (0.47) MAPTHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL20918028 0.79 CYP1A2 (0.44) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL20932777 0.74 TAAR1 (0.45) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL20685661 0.74 KMT2A (0.47) MAPTKMT2AMEN1GAAALDH1A1

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
WO-2008025152-A1 ANTIBACTERIAL AGENTS MCMASTER UNIVERSITY (CA) 2008-03-06 — — WO disclosed
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