SCHEMBL30872138

SCHEMBL30872138

CC(C)C(C)(C(=O)O)c1ccnc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 4/20 0.38
SMARCA4 P51532 3/20 0.38
KDM4C Q9H3R0 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
RECQL P46063 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
GRM5 P41594 2/20 0.35
CCR9 P51686 2/20 0.34
AR P10275 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 1/20 0.34
FFAR1 O14842 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
KMO O15229 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL13331893 0.81 AKR1C3 (0.44) SMARCA2SMARCA4RECQLAKR1C3AKR1C2
SCHEMBL30184947 0.81 SMARCA2 (0.37) SMARCA2SMARCA4KDM4CAAK1RECQL
SCHEMBL30872128 0.80 ALDH1A1 (0.41) SMARCA2SMARCA4AAK1CYP1A2
SCHEMBL30872131 0.80 ALDH1A1 (0.41) SMARCA2SMARCA4AAK1CYP1A2
SCHEMBL14903833 0.79 CYP1A2 (0.45) SMARCA2SMARCA4RECQLGRM5CCR9
SCHEMBL22548067 0.78 RECQL (0.37) SMARCA2SMARCA4AAK1RECQLAKR1C3
SCHEMBL15143115 0.77 NAPRT (0.43) CYP2D6CYP2C9HIF1A
SCHEMBL27334496 0.75 RECQL (0.35) SMARCA2SMARCA4AAK1RECQLATR
SCHEMBL28818554 0.74 CYP2D6 (0.50) CYP2D6CYP2C9HIF1ACYP1A2
SCHEMBL26639005 0.74 SMARCA2 (0.44) SMARCA2SMARCA4RECQLGRM5AR

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
CN-117940404-A Tricyclic compounds as Cbl-b inhibitors 海南先声再明医药股份有限公司 2024-04-26 CN disclosed