SCHEMBL12430895

SCHEMBL12430895

c1ccc2c(c1)-c1c(-c3nc4cnccc4[nH]3)cccc1C2NCc1cccc2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.57
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
CASP6 P55212 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL12431593 0.82 HSP90AB1 (0.85) HSP90AB1KDM4EALDH1A1HPGDNPC1
SCHEMBL13437174 0.82 HSP90AB1 (0.68) HSP90AB1KDM4EALDH1A1HPGDNPC1
SCHEMBL13437184 0.79 HSP90AB1 (0.77) HSP90AB1KDM4EALDH1A1HPGDNPC1
SCHEMBL12430602 0.78 HSP90AB1 (0.52) HSP90AB1KDM4EALDH1A1HPGDNPC1
SCHEMBL21477061 0.78 HSP90AB1 (0.58) HSP90AB1KDM4EALDH1A1HPGDNPC1
SCHEMBL13437146 0.77 HSP90AB1 (0.47) HSP90AB1KDM4EALDH1A1HPGDNPC1
SCHEMBL12430419 0.77 HSP90AB1 (0.47) HSP90AB1KDM4EALDH1A1HPGDNPC1
SCHEMBL12431588 0.76 HSP90AB1 (0.57) HSP90AB1KDM4EALDH1A1NPC1RAB9A
SCHEMBL13437143 0.75 HSP90AB1 (0.85) HSP90AB1KDM4EALDH1A1HPGDNPC1
SCHEMBL27263584 0.75 HSP90AB1 (0.53) HSP90AB1KDM4EALDH1A1HPGDNPC1

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
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed