SCHEMBL4404802

SCHEMBL4404802

CCC(=O)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.47
ABL1 P00519 1/20 0.47
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
MASP2 O00187 1/20 0.42
NUDT1 P36639 1/20 0.42
AOC3 Q16853 1/20 0.42
PLAU P00749 2/20 0.42
PLG P00747 1/20 0.42
ATM Q13315 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
BACE1 P56817 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11540936 0.88 FABP6 (0.45) FABP6ABL1MEN1ALDH1A1KMT2A
SCHEMBL725577 0.83 FABP6 (0.50) FABP6ABL1MEN1ALDH1A1KMT2A
SCHEMBL11148656 0.81 HCRTR1 (0.53) MEN1ALDH1A1KMT2AMMP2MMP13
SCHEMBL1870891 0.81 FABP6 (0.55) FABP6ABL1MEN1ALDH1A1KMT2A
SCHEMBL22121440 0.81 FABP6 (0.51) FABP6ABL1MEN1ALDH1A1KMT2A
SCHEMBL3607728 0.80 FABP6 (0.48) FABP6ABL1MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4682527 0.80 FABP6 (0.54) FABP6ABL1MEN1ALDH1A1KMT2A
SCHEMBL17747823 0.79 FABP6 (0.47) FABP6ABL1MEN1ALDH1A1KMT2A
SCHEMBL1202574 0.79 KDM4E (0.50) FABP6ABL1MEN1ALDH1A1KMT2A
Bromide SCHEMBL214290 0.78 KDM4E (0.49) FABP6ABL1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO disclosed
EP-0091794-B1 PROCESS FOR PREPARING 1.6-DISUBSTITUTED 2-AMINOBENZIMIDAZOLES ELI LILLY AND COMPANY (US) 1988-11-30 EP disclosed
US-4434288-A Preparation of substituted 1-thiazinyl or 1-thiazolyl-2-aminobenzimidazoles ELI LILLY AND COMPANY (US) 1984-02-28 US disclosed
EP-0091794-A1 Process for preparing 1.6-disubstituted 2-aminobenzimidazoles ELI LILLY AND COMPANY (US) 1983-10-19 EP disclosed