SCHEMBL9607713

SCHEMBL9607713

Nc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GMNN O75496 1/20 0.55
CYP3A4 P08684 1/20 0.55
PKM P14618 1/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
CYP1A2 P05177 3/20 0.47
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3784385 0.87 RAB9A (0.55) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8775562 0.85 CYP1A2 (0.50) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8775116 0.85 CYP1A2 (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8775312 0.85 RAB9A (0.51) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8775845 0.84 CYP1A2 (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5188049 0.84 CYP1A2 (0.63) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8776094 0.82 CYP1A2 (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8776026 0.81 CYP1A2 (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8775262 0.81 NPC1 (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8776042 0.81 PARP1 (0.44) CYP1A2PARP1

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
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed