SCHEMBL31344571

SCHEMBL31344571

COC(=O)c1nccc(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NNMT P40261 1/20 0.39
ALOX15 P16050 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
ROCK1 Q13464 1/20 0.38
CA1 P00915 1/20 0.37

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
SCHEMBL2723992 0.83 KMO (0.50) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL31403767 0.83 MTNR1A (0.47) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL882971 0.83 MTNR1A (0.47) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL1324299 0.83 CYP1A2 (0.45) ALDH1A1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL30711661 0.83 ATR (0.39) ALDH1A1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL6635914 0.82 KDR (0.44) ALDH1A1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL2762628 0.81 KDM4E (0.40) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL28051846 0.81 NNMT (0.50) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL20931377 0.81 P2RX7 (0.52) ALDH1A1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL31163801 0.80 TDP1 (0.51) ALDH1A1KDM4ETDP1L3MBTL1MAPT

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
WO-2025264959-A1 SUBSTITUTED PYRAZOLOPYRIDINES AS PHOSPHOINOSIDIDE KINASE (PIK) MODULATORS RECURSION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed
CN-119350323-B N-sulfonyl amide nitrogen-containing fused heterocycle compounds targeting p53 mutation and application thereof 上海宇道生物技术有限公司 2025-06-13 CN disclosed
CN-119350323-A N-sulfonyl amide nitrogen-containing fused heterocycle compounds targeting p53 mutation and application thereof 上海宇道生物技术有限公司 2025-01-24 CN disclosed