SCHEMBL8987994

SCHEMBL8987994

C[n+]1ccncc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
SLC22A3 O75751 1/20 0.46
PABPC1 P11940 1/20 0.42
APOBEC3A P31941 1/20 0.42
EIF4H Q15056 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
NOTUM Q6P988 1/20 0.39
CHAT P28329 2/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL577807 0.82 SLC22A2 (0.54) SLC6A4SLC22A2SLC22A1SLC22A3LMNA
SCHEMBL8987913 0.79 LMNA (0.38) SLC6A4SLC22A2SLC22A1SLC22A3PABPC1
SCHEMBL9003722 0.79 MEN1 (0.41) APOBEC3AAPOBEC3GLMNANPSR1TP53
Pyridine SCHEMBL9684738 0.77 TDP1 (0.50) SLC6A4LMNATP53BLMATM
SCHEMBL7032473 0.77 SLC22A2 (0.54) SLC6A4SLC22A2SLC22A1SLC22A3APOBEC3A
SCHEMBL8987874 0.72 LMNA (0.36) SLC6A4SLC22A2SLC22A1SLC22A3LMNA
Hydrochloric Acid SCHEMBL701514 0.71 ALDH1A1 (0.44) LMNANPSR1TP53MAPTTHRB
Iodide SCHEMBL8988087 0.71 PABPC1 (0.55) PABPC1APOBEC3AEIF4HAPOBEC3GHDAC8
Potassium Ion SCHEMBL9121554 0.71
Iodide SCHEMBL8988080 0.71 PABPC1 (0.48) PABPC1APOBEC3AEIF4HAPOBEC3GHDAC8

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