SCHEMBL7961948

SCHEMBL7961948

CNc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.65
MAPT P10636 9/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NFKB1 P19838 4/20 0.59
NFKB2 Q00653 4/20 0.59
RELA Q04206 4/20 0.59
MAPK1 P28482 4/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
NPC1 O15118 4/20 0.59
TP53 P04637 3/20 0.59
MEN1 O00255 1/20 0.59
PKM P14618 1/20 0.59
KMT2A Q03164 1/20 0.59
CHUK O15111 1/20 0.59
CASP3 P42574 1/20 0.59
TXNRD1 Q16881 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59

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
Dimethylamine SCHEMBL7961743 0.81 SMN1; SMN2 (0.67) GPR55MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL27379300 0.80 MAPT (0.73) GPR55MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL4192791 0.79 SMN1; SMN2 (0.68) MAPTRAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL7956850 0.78 GPR55 (0.52) GPR55MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL12581656 0.78 GPR55 (0.60) GPR55MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL3743148 0.75 SMN1; SMN2 (0.68) GPR55MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL11731622 0.75 NPC1 (0.68) GPR55MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL5736756 0.75 CASP3 (1.00) GPR55MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL21320381 0.75 L3MBTL1 (0.47) GPR55MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL7399348 0.75 GPR55 (0.71) GPR55MAPTRAB9ASMN1; SMN2NFKB1

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-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed