SCHEMBL8075629

SCHEMBL8075629

CN1CCN(c2c(F)cc([N+](=O)[O-])c(N)c2F)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.78
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
LMNA P02545 3/20 0.53
SIRT6 Q8N6T7 4/20 0.50
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL26185855 0.86 MAPT (0.74) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL30168467 0.86 MAPT (0.74) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL29016311 0.79 MAPT (0.64) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL20605233 0.79 MAPT (0.67) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10571418 0.78 MAPT (0.60) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10573021 0.77 MAPT (0.58) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8059814 0.77 MAPT (0.50) MAPTALDH1A1GAAMAPK1KMT2A
SCHEMBL10571876 0.77 MAPT (0.61) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL22471423 0.76 MAPT (0.59) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL3925665 0.76 MAPT (0.71) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9

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-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 WO disclosed