SCHEMBL11262166

SCHEMBL11262166

[O-][S+]1CCCNc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.38
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 1/20 0.33
PNMT P11086 4/20 0.33
TDP2 O95551 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31

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
SCHEMBL11267164 0.81 CA12 (0.35) GAAPARP1PARP10MAPTALDH1A1
SCHEMBL11269163 0.78 MAPT (0.35) GAAPARP1PARP10MAPTALDH1A1
SCHEMBL11280879 0.78 AHR (0.36) GAAPARP1PARP10MAPTALDH1A1
SCHEMBL3717613 0.77 GAA (0.57) GAAPARP1PARP10MAPTALDH1A1
SCHEMBL11260147 0.75 PNMT (0.36) MAPTPNMTCA12CA1CA2
SCHEMBL7385186 0.75 GAA (0.52) GAAPARP1PARP10MAPTALDH1A1
SCHEMBL11274713 0.74 PDE3B (0.41) PARP1ALDH1A1CA12CA1CA2
SCHEMBL11266164 0.73 ALOX15 (0.36) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL11269742 0.73 PNMT (0.41) MAPTMEN1KMT2APNMTTDP2
SCHEMBL4991137 0.73 PARP10 (0.56) GAAPARP1PARP10S1PR1HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US claimed
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed