SCHEMBL31368469

SCHEMBL31368469

COC(=O)c1cc(S)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
AR P10275 1/20 0.46
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 5/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
LCK P06239 1/20 0.43
ACACB O00763 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 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
SCHEMBL2064847 1.00 ALDH1A1 (0.50) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL30800091 0.82 ALDH1A1 (0.54) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL2643688 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL70350 0.79 KDM4E (0.62) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL30065796 0.79 KDM4E (0.62) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL163424 0.79 ALDH1A1 (0.51) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL850841 0.79 ALDH1A1 (0.51) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL131790 0.79 ALDH1A1 (0.51) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL1336313 0.78 ALDH1A1 (0.50) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL2642557 0.78 KDR (0.46) ALDH1A1KDM4EKDM4CMAPTLMNA

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-4739685-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008061-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed