SCHEMBL8987972

SCHEMBL8987972

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 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
MAOA P21397 2/20 0.35
ACHE P22303 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
ADRA1A P35348 1/20 0.35
OPRM1 P35372 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
SCHEMBL50667 0.84 MAPT (0.56) MAPTKDM4EALDH1A1GLAHPGD
Iodide SCHEMBL1471059 0.82 MAPT (0.53) MAPTKDM4EALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL740017 0.82 MAPT (0.53) MAPTKDM4EALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL31542018 0.82 MAPT (0.53) MAPTKDM4EALDH1A1GLAHPGD
Water SCHEMBL1146714 0.80 MAPT (0.50) MAPTKDM4EALDH1A1GLAHPGD
Iodide SCHEMBL1146708 0.78 MAPT (0.48) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL3360974 0.72 MAPT (0.42) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL8987942 0.71 MAPT (0.40) MAPTKDM4EALDH1A1GLAHPGD
Benzene SCHEMBL31091106 0.71 ALDH1A1 (0.50) MAPTALDH1A1GLAHPGDACHE
SCHEMBL143876 0.71 ALDH1A1 (0.50) MAPTALDH1A1GLAHPGDACHE

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