SCHEMBL31591948

SCHEMBL31591948

Cc1ccc(C(C)n2cnc3ccc(C(=O)NC(C)C)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.45
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
MAPK14 Q16539 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RET P07949 1/20 0.39
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL31591941 0.91 HCAR3 (0.50) RORCHPGDKMT2AMEN1HSD17B10
SCHEMBL31592014 0.91 HCAR3 (0.50) RORCHPGDKMT2AMEN1HSD17B10
SCHEMBL31591981 0.91 HCAR3 (0.50) RORCHPGDKMT2AMEN1HSD17B10
SCHEMBL31591949 0.84 KMT2A (0.48) HPGDKMT2AMEN1HSD17B10TP53
SCHEMBL1608560 0.79 MEN1 (0.57) HPGDKMT2AMEN1HSD17B10HCAR3
SCHEMBL31591951 0.75 HCAR3 (0.53) HPGDKMT2AMEN1HSD17B10TDP1
SCHEMBL178370 0.70 MEN1 (0.66) HPGDKMT2AMEN1TDP1TP53
SCHEMBL15992318 0.70 PPARG (0.48) HPGDKMT2AMEN1TP53NPC1
SCHEMBL15992042 0.69 RAB9A (0.54) HPGDKMT2AMEN1TP53NPC1
SCHEMBL15991817 0.68 PPARG (0.49) HPGDTP53MAPTHCAR3

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
CN-113912563-B Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2025-05-27 CN claimed
CN-113912563-B Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2025-05-27 CN disclosed