SCHEMBL31235833

SCHEMBL31235833

COc1ccc(CNc2cc(C(=O)N(C)OC)c(N)cc2F)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ APLNR P35414 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL31235860 0.86 KDM4C (0.51) KDM4CALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL31235809 0.85 LMNA (0.45) KDM4CALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20912613 0.83 KDM4C (0.52) KDM4CALDH1A1KDM4EAPLNRHSD17B10
SCHEMBL20912632 0.80 MAPT (0.55) KDM4CALDH1A1TSHRAPLNRLMNA
SCHEMBL19728818 0.77 APLNR (0.49) KDM4CCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL20157358 0.74 KDM4C (0.60) KDM4CALDH1A1KDM4EAPLNRMEN1
SCHEMBL30296407 0.74 KDM4C (0.54) KDM4CALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL28273319 0.74 APLNR (0.54) KDM4CALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20302866 0.72 CYP1A2 (0.47) KDM4CALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3469683 0.72 CLK1 (0.55) ALDH1A1CYP3A4KDM4EMEN1KMT2A

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
EP-4642484-A1 TARGETED TREATMENT OF PROSTATE CANCERS AND OTHER TUMORS BY AN ANTIBODY-DRUG CONJUGATE Hangzhou Seehe Biotechnology Co., Ltd (CN) 2025-11-05 — — EP disclosed
WO-2024239281-A1 TARGETED TREATMENT OF PROSTATE CANCERS AND OTHER TUMORS BY AN ANTIBODY-DRUG CONJUGATE HANGZHOU SEEHE BIOTECHNOLOGY CO., LTD (CN) 2024-11-28 — — WO disclosed
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