SCHEMBL8965508

SCHEMBL8965508

Oc1cc2c(cc1-c1nc3ccccc3o1)oc1c(-c3nc4ccccc4o3)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.58
KDM6A O15550 1/20 0.58
TOP2A P11388 1/20 0.56
ESR1 P03372 9/20 0.51
ESR2 Q92731 9/20 0.51
PTGS2 P35354 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX5 P09917 2/20 0.48
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL8964800 0.86 KDM6B (0.64) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL29202874 0.86 ALDH1A1 (0.54) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL1296601 0.81 KDM6B (0.78) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL9603969 0.80 ALDH1A1 (0.51) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL9603965 0.80 ALDH1A1 (0.51) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL9603970 0.80 ALDH1A1 (0.51) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL9603976 0.79 ALOX5 (0.51) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL1550613 0.78 TOP2A (0.79) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL1550348 0.78 TOP2A (0.79) KDM6BKDM6ATOP2AESR1ESR2
SCHEMBL9603973 0.76 KDM4E (0.54) KDM6BKDM6ATOP2AESR1ESR2

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed