SCHEMBL8534337

SCHEMBL8534337

C=C(c1cccc(OCc2ccccc2)c1O)c1cc2ccccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.46
SRD5A1 P18405 1/20 0.46
MCL1 Q07820 2/20 0.42
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RHEB Q15382 1/20 0.38
IDO1 P14902 1/20 0.38
BCL2 P10415 1/20 0.38
BID P55957 1/20 0.38
PTGER1 P34995 1/20 0.37

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
SCHEMBL8535826 0.83 MCL1 (0.44) MCL1MAPTMAPK1MEN1KMT2A
SCHEMBL8534428 0.80 SRD5A2 (0.57) SRD5A2SRD5A1MCL1MEN1KMT2A
SCHEMBL8532366 0.74 MCL1 (0.53) MCL1MAPTMEN1KMT2ANPC1
SCHEMBL6989039 0.73 ALB (0.43) SRD5A2SRD5A1MAPTMAPK1TDP1
SCHEMBL6989042 0.73 ALB (0.43) SRD5A2SRD5A1MAPTMAPK1TDP1
SCHEMBL8531046 0.72 MCL1 (0.51) MCL1MAPTTDP1MEN1KMT2A
SCHEMBL3275631 0.72 MCL1 (0.65) MCL1MAPTMEN1KMT2ANPC1
SCHEMBL8531587 0.69 MCL1 (0.47) MCL1MAPTMEN1KMT2A
SCHEMBL11643569 0.68 MAPT (0.64) MAPTMAPK1TDP1L3MBTL1MEN1
SCHEMBL7050350 0.68 PTGER1 (0.61) SRD5A2MCL1MAPTMAPK1TDP1

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-5728709-A COAGULANTS AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-17 US disclosed