SCHEMBL30003144

SCHEMBL30003144

CSc1ccc(C(C)=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNJ1 P48048 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 3/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT1 O75907 1/20 0.37
P4HA1 P13674 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
HSD17B1 P14061 1/20 0.36

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
SCHEMBL1091823 1.00 HPGD (0.50) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9075726 0.86 HPGD (0.68) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL46646 0.84 ALDH1A1 (0.71) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27385633 0.82 HPGD (0.48) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18930988 0.82 NNMT (0.55) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2654849 0.81 ALDH1A1 (0.52) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19781647 0.79 NPC1 (0.48) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL247044 0.79 MAPK1 (0.61) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15372282 0.79 CYP1A2 (0.46) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9671972 0.79 ALDH1A1 (0.46) HPGDALDH1A1CYP1A2CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347590-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
CN-117715909-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-03-15 CN disclosed
WO-2022253259-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed