SCHEMBL11269752

SCHEMBL11269752

CC1SCCCNc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HIF1A Q16665 1/20 0.39
CHRNA7 P36544 1/20 0.38
PNMT P11086 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HSPA9 P38646 2/20 0.38
AR P10275 1/20 0.37
PGR P06401 1/20 0.36
GAA P10253 1/20 0.36
GAPDH P04406 1/20 0.36
HSPA1A P0DMV8 1/20 0.36

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
SCHEMBL11273833 0.78 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1ADRA2AADRA2B
SCHEMBL6984175 0.77 CHRNB4 (0.43) NPC1MAPTRAB9ACHRNB4CHRNA3
SCHEMBL11275332 0.77 MAPT (0.36) MAPTSMN1; SMN2ALDH1A1GAAGAPDH
SCHEMBL11271452 0.77 CA12 (0.38) MAPTPNMT
SCHEMBL11270748 0.76 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1HIF1APGR
SCHEMBL11272587 0.76 MAPT (0.35) NPC1MAPTALDH1A1GAA
SCHEMBL11276985 0.76 CA1 (0.34)
SCHEMBL11262097 0.76 HTR2C (0.39) MAPTALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL11260229 0.76 HTR2A (0.39) MAPTSMN1; SMN2PNMTADRA2AADRA2B
Hydrochloric Acid SCHEMBL11275784 0.74 CA1 (0.33) MAPTALDH1A1GAA

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