SCHEMBL8233126

SCHEMBL8233126

Cc1cc(-c2nnco2)sc1-c1ccc(NC(=O)c2c(C)cncc2F)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 7/20 0.38
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CREBBP Q92793 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
PPARG P37231 1/20 0.34
KAT6A Q92794 1/20 0.33
ABCB1 P08183 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5436570 0.96 IL2 (0.41) IL2ALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL5030780 0.90 IL2 (0.45) IL2ALDH1A1NPC1RAB9ASTIM1
SCHEMBL5029396 0.89 IL2 (0.48) IL2ALDH1A1NPC1RAB9ASTIM1
SCHEMBL5027368 0.87 IL2 (0.43) IL2ALDH1A1NPC1RAB9ASTIM1
SCHEMBL8228068 0.87 IL2 (0.45) IL2ALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL5029467 0.84 ABCB1 (0.38) IL2ALDH1A1NPC1RAB9ACREBBP
SCHEMBL5033884 0.83 IL2 (0.49) IL2ALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL5032084 0.82 IL2 (0.39) IL2ALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL5033765 0.82 IL2 (0.45) IL2ALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL8236369 0.80 LMNA (0.39) ALDH1A1NPC1RAB9AKDM4EGAA

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-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed