SCHEMBL31469880

SCHEMBL31469880

Clc1cc(Cl)c2[nH]nc(Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.40
CHEK1 O14757 1/20 0.38
FLT3 P36888 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GAA P10253 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
AR P10275 2/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 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
SCHEMBL31469873 1.00 CHUK (0.40) CHUKCHEK1FLT3PLK3CYP1A2
SCHEMBL204117 0.79 ADORA2A (0.44) CHUKCHEK1FLT3PLK3CYP1A2
SCHEMBL13122258 0.75 KCNH2 (0.36) CHUKCHEK1FLT3PLK3CYP1A2
SCHEMBL13208497 0.75 CYP1A2 (0.36) CHUKCHEK1FLT3PLK3CYP1A2
SCHEMBL22493070 0.69 KDM4E (0.32) CYP1A2ALDH1A1HSD17B10KDM4EGRIN2D
SCHEMBL22281803 0.69 AR (0.33) AR
SCHEMBL28521666 0.69 CHUK (0.55) CHUKCYP1A2ALDH1A1HSD17B10KDM4E
SCHEMBL29805854 0.69 CHUK (0.55) CHUKCYP1A2ALDH1A1HSD17B10KDM4E
SCHEMBL10885591 0.68 GRIN1 (0.39) CHUKCYP1A2ALDH1A1HSD17B10KDM4E
SCHEMBL19250509 0.65 CHEK1 (0.35) CHEK1FLT3PLK3CYP1A2CYP3A4

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-2025026556-A1 CROSSLINKERS PREFERE RESINS HOLDING GMBH (DE) 2025-02-06 WO disclosed