SCHEMBL31352537

SCHEMBL31352537

COC(=O)c1cc(Oc2ccnc(Cl)c2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ABL1 P00519 1/20 0.44
BRAF P15056 5/20 0.42
HDAC1 Q13547 5/20 0.42
CFTR P13569 1/20 0.42
GLA P06280 2/20 0.41
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 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
SCHEMBL31352595 0.85 CA12 (0.49) KDM4ETSHRGRM5ATRP2RX3
SCHEMBL31352480 0.84 P2RX3 (0.45) GRM5ATRP2RX3GCKTDP1
SCHEMBL17530348 0.82 BRAF (0.58) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1026723 0.79 BRAF (0.56) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL22048761 0.78 KDR (0.55) ABL1BRAF
SCHEMBL2723179 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL191586 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EATMGCKTDP1
SCHEMBL192020 0.76 L3MBTL1 (0.64) KDM4EGRM5
SCHEMBL16655993 0.75 NR4A1 (0.44) ALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL2454106 0.75 BRAF (0.57) ALDH1A1KDM4EGAAHSD17B10MAPT

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-2025021943-A1 QUINAZOLINONE, BENZOXAZINONE AND BENZOXAZEPINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS NEURALIS (BE) 2025-01-30 WO disclosed