SCHEMBL7654276

SCHEMBL7654276

O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HTT P42858 3/20 0.58
TP53 P04637 2/20 0.58
RAB9A P51151 2/20 0.58
ALOX12 P18054 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 6/20 0.48
USP2 O75604 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL7664966 0.90 MAPT (0.61) MAPTMEN1KMT2AHTTTP53
SCHEMBL7659438 0.87 GFER (0.61) MAPTMEN1KMT2AHTTTP53
SCHEMBL7657390 0.86 MAPT (0.56) MAPTMEN1KMT2AHTTTP53
SCHEMBL7665040 0.86 MAPT (0.56) MAPTMEN1KMT2AHTTTP53
SCHEMBL7654780 0.86 KMT2A (0.55) MAPTMEN1KMT2ATP53ALOX12
SCHEMBL7656710 0.86 MAPT (0.56) MAPTMEN1KMT2AHTTTP53
SCHEMBL7858184 0.85 MAPT (0.54) MAPTMEN1KMT2AHTTTP53
SCHEMBL7658164 0.84 MAPT (0.53) MAPTMEN1KMT2AHTTTP53
SCHEMBL7660118 0.83 HSP90AA1 (0.53) MAPTMEN1KMT2AHTTTP53
SCHEMBL7855836 0.82 MAPT (0.48) MAPTMEN1KMT2AHTTTP53

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-6500846-B1 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE LG CHEMICAL, LTD. (KR) 2002-12-31 US disclosed