SCHEMBL11114297

SCHEMBL11114297

Cc1cc(N=Nc2ccc(S(C)(=O)=O)cc2)c(C)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PHLPP2 Q6ZVD8 2/20 0.47
▸ BRD4 O60885 6/20 0.44
▸ BRD3 Q15059 4/20 0.44
▸ BRD2 P25440 1/20 0.44
▸ BRDT Q58F21 1/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PKM P14618 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
SCHEMBL11213651 1.00 MAPT (0.53) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL11505519 0.88 CA2 (0.56) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL11505518 0.88 CA2 (0.56) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL14004211 0.87 RPS6KA3 (0.54) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL6123730 0.87 RPS6KA3 (0.54) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL8375098 0.87 MAPT (0.51) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL8375096 0.87 MAPT (0.51) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL12758032 0.87 RPS6KA3 (0.54) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL8375101 0.85 RPS6KA3 (0.52) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL5353001 0.82 MAPT (0.54) MAPTNPC1RAB9AKDM4EMEN1

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
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 — — EP disclosed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 — — US disclosed
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