SCHEMBL9733370

SCHEMBL9733370

CC1(C)Oc2ccc(Br)cc2C(Oc2ccc(=O)[nH]n2)=C1C=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PTGES O14684 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL9372031 0.85 KDM4E (0.33) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9733368 0.83 ALOX5 (0.36) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL9735940 0.82 KDM4E (0.34) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9732959 0.78 NSD2 (0.31) PTGS1PTGS2PTGES
SCHEMBL9735400 0.77 KDM4E (0.35) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9734213 0.74 PBRM1 (0.33) NPSR1
SCHEMBL9736236 0.71 KDM4E (0.33) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9733219 0.68 LMNA (0.32) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9736241 0.68 ALDH1A1 (0.35) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9740084 0.67 CNR2 (0.36) KDM4ENPC1RAB9AALDH1A1LMNA

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
US-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed