SCHEMBL9559593

SCHEMBL9559593

C=CCc1cc[c]c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A3 P47895 1/20 0.31
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
MAP4K4 O95819 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
MET P08581 1/20 0.30
PIM1 P11309 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
CDK8 P49336 1/20 0.30
CLK2 P49760 1/20 0.30
CDK9 P50750 1/20 0.30
CDK5 Q00535 1/20 0.30
ACVR1 Q04771 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
SCHEMBL4859718 0.90 AURKA (0.35) AURKADAPK3MAP4K4RETIGF1R
SCHEMBL9559538 0.85 GABRA1 (0.31) AURKADAPK3MAP4K4RETIGF1R
SCHEMBL9559707 0.81 GABRA1 (0.30) GABRA1GABRB2AKR1B1
SCHEMBL9559671 0.80 PDE4B (0.30) AURKADAPK3MAP4K4RETIGF1R
SCHEMBL9559635 0.80 HPGD (0.40) MEN1POLBKMT2A
SCHEMBL9559691 0.79 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL9559592 0.79 GABRA1 (0.34) AURKADAPK3MAP4K4RETIGF1R
SCHEMBL9559565 0.77 GABRA1 (0.35) GABRA1GABRB2AKR1B1
SCHEMBL9559677 0.76 ACHE (0.35) MEN1POLBKMT2AALDH1A3
SCHEMBL9559670 0.75 ADORA1 (0.36) MEN1POLBKMT2AALDH1A3

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-5235061-A 2,4-disilaalkanes; agriculture KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-08-10 US disclosed