SCHEMBL11272587

SCHEMBL11272587

CC1SCCCNc2cc([N+](=O)[O-])c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
AKR1B1 P15121 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
VCAM1 P19320 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
PGK1 P00558 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
RECQL P46063 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
SCHEMBL11260482 0.86 ALDH1A1 (0.36) MAPTALDH1A1AKR1B1CYP3A4MAPK1
SCHEMBL11270748 0.85 MAPT (0.35) MAPTALDH1A1AKR1B1MAPK1VCAM1
SCHEMBL11262598 0.79 AKR1B1 (0.33) MAPTALDH1A1AKR1B1MAPK1KDM4E
SCHEMBL11269752 0.76 NPC1 (0.40) MAPTALDH1A1NPC1GAA
SCHEMBL11273833 0.76 ALDH1A1 (0.37) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11272551 0.73 MAPT (0.30) MAPT
SCHEMBL11266402 0.73 MAPT (0.36) MAPTALDH1A1MAPK1TSHRVCAM1
Hydrochloric Acid SCHEMBL11275024 0.71 HTR2C (0.36) MAPTALDH1A1TSHRGAA
SCHEMBL11262097 0.71 HTR2C (0.39) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL19030024 0.68 MAPT (0.42) MAPTALDH1A1AKR1B1CYP3A4MAPK1

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