SCHEMBL8987942

SCHEMBL8987942

c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc2[o+]c3ccccc3nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
GLA P06280 4/20 0.35
HPGD P15428 3/20 0.35
NQO2 P16083 3/20 0.35
ACHE P22303 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL30737630 0.84 MAPT (0.56) MAPTMAOAMAOBKDM4EALDH1A1
SCHEMBL1502484 0.84 MAPT (0.56) MAPTMAOAMAOBKDM4EALDH1A1
SCHEMBL8988042 0.77 ALDH1A1 (0.31) MAPTALDH1A1GLAHPGDACHE
SCHEMBL8987972 0.71 MAPT (0.40) MAPTMAOAMAOBKDM4EALDH1A1
SCHEMBL11707018 0.71 ALDH1A1 (0.50) MAPTALDH1A1GLAHPGDACHE
Benzene SCHEMBL31091106 0.71 ALDH1A1 (0.50) MAPTALDH1A1GLAHPGDACHE
SCHEMBL143876 0.71 ALDH1A1 (0.50) MAPTALDH1A1GLAHPGDACHE
SCHEMBL225363 0.68 ALDH1A1 (0.47) MAPTALDH1A1GLAHPGDACHE
Silver SCHEMBL333097 0.68 ALDH1A1 (0.47) MAPTALDH1A1GLAHPGDACHE
Ammonia Solution, Strong SCHEMBL8002765 0.68 ALDH1A1 (0.47) MAPTALDH1A1GLAACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541000-A Latent, thermal cure accelerators for epoxy-aromatic amine resins having lowered peak exotherms MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-30 US disclosed
EP-0719293-A1 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-03 EP disclosed
WO-1995005411-A2 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-23 WO disclosed