SCHEMBL2641801

SCHEMBL2641801

Nc1ccc(/C=C/c2ccc(F)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
APP P05067 4/20 0.47
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KDM1A O60341 4/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
NQO2 P16083 2/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL2641804 1.00 CYP19A1 (0.48) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL2641872 0.80 KMT2A (0.49) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL2641876 0.80 KMT2A (0.49) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL2641969 0.78 NFE2L2 (0.40) APPMAPTNFE2L2HTR2AKCNH2
SCHEMBL2641966 0.78 NFE2L2 (0.40) APPMAPTNFE2L2HTR2AKCNH2
SCHEMBL2641773 0.76 APP (0.61) APPMEN1NPC1MAPTRAB9A
SCHEMBL2641811 0.76 APP (0.54) APPMAPTKCNH2
SCHEMBL2641766 0.76 APP (0.61) APPMEN1NPC1MAPTRAB9A
SCHEMBL2641840 0.76 NFE2L2 (0.67) CYP19A1NPC1MAPTRAB9ANFE2L2
SCHEMBL2641815 0.76 APP (0.54) APPMAPTKCNH2

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
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed