SCHEMBL31396259

SCHEMBL31396259

O=C1CC(C(=O)O)Sc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PBRM1 Q86U86 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
S100A4 P26447 1/20 0.34
AR P10275 1/20 0.34
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL18144907 0.88 EDNRB (0.44) EDNRBEDNRAALDH1A1KDM4EPBRM1
SCHEMBL31396195 0.83 KDM4E (0.44) ALDH1A1KDM4EPBRM1HPGD
SCHEMBL2169320 0.82 MAOB (0.43) ALDH1A1KDM4ENPC1MAPTPKM
SCHEMBL1105143 0.80 NPC1 (0.39) EDNRBEDNRAALDH1A1KDM4ENPC1
SCHEMBL2171598 0.78 MAPT (0.50) EDNRBEDNRAALDH1A1KDM4ENPC1
SCHEMBL12060932 0.76 NPC1 (0.39) EDNRBEDNRAKDM4ENPC1MAPT
SCHEMBL84260 0.73 VHL (0.46) ALDH1A1KDM4ENPC1MAPTPKM
SCHEMBL19510899 0.71 PBRM1 (0.40) EDNRBEDNRAALDH1A1KDM4EPBRM1
SCHEMBL19510776 0.71 EDNRB (0.33) EDNRBEDNRAPBRM1
SCHEMBL27864834 0.70 EDNRB (0.47) EDNRBEDNRAALDH1A1PBRM1SRD5A1

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-4739684-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-2025008060-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