SCHEMBL27680977

SCHEMBL27680977

Cc1cc(-c2cc[nH]n2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 5/20 0.44
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KLF10 Q13118 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL27858187 0.86 MAPT (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL20630984 0.82 CHEK1 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29033980 0.79 MAPT (0.52) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL29033968 0.79 MAPT (0.41) MEN1KMT2AMAPTTSHRCYP3A4
SCHEMBL8782300 0.78 MAPT (0.41) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL28242342 0.78 AR (0.46) MEN1KMT2ARAB9AMAPTTSHR
SCHEMBL11293963 0.78 MAPT (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL10602891 0.77 MEN1 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3447337 0.77 ALPL (0.47) MEN1KMT2ANPC1MAPTHPGD
SCHEMBL12077012 0.77 NPC1 (0.45) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1930129-A N1- ((pyrazol-1-ylmethyl) -2-methylphenyl) -phthalamide derivative and related compound insecticide BAYER CROPSCIENCE AG (DE) 2007-03-14 — — CN disclosed
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