SCHEMBL14578261

SCHEMBL14578261

COc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.71
▸ KMT2A Q03164 6/20 0.71
▸ RAB9A P51151 11/20 0.63
▸ NPC1 O15118 10/20 0.63
▸ MAPT P10636 7/20 0.63
▸ SMN1; SMN2 Q16637 7/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ ALDH1A1 P00352 4/20 0.62
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ ABCB1 P08183 1/20 0.57
▸ ABCC1 P33527 1/20 0.57
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ POLB P06746 1/20 0.56

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
SCHEMBL978809 0.83 RAB9A (0.73) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8784838 0.83 RAB9A (0.69) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL978808 0.83 RAB9A (0.73) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11975139 0.83 KMT2A (0.55) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5524662 0.82 RAB9A (0.71) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2884065 0.82 ALDH1A1 (0.59) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9613720 0.81 RAB9A (0.70) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9613726 0.81 RAB9A (0.70) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14376787 0.80 KCNMA1 (0.58) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL27677695 0.80 KCNMA1 (0.53) MEN1KMT2ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 — — US disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 — — US disclosed
Send feedback