SCHEMBL8090146

SCHEMBL8090146

[c]1cc(-c2ncccn2)nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
METAP1 P53582 2/20 0.37
KDM4E B2RXH2 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
TOP1 P11387 1/20 0.34
CYP19A1 P11511 1/20 0.34
POLB P06746 2/20 0.33
HSD17B10 Q99714 4/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOA P21397 2/20 0.32

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
SCHEMBL4875167 0.84 MAPT (0.46) ALDH1A1KDM4ETDP1MAPTPOLB
SCHEMBL8102371 0.84 KDM4E (0.50) ALDH1A1METAP1KDM4ETDP1MAPT
SCHEMBL234452 0.77 ACHE (0.47) ALDH1A1KDM4ETDP1MAPTTOP1
SCHEMBL8087264 0.76 CYP2C9 (0.53) ALDH1A1KDM4EMAPTPOLBHSD17B10
SCHEMBL8087257 0.76 CYP1A2 (0.46) ALDH1A1KDM4EMAPTHSD17B10MAPK1
SCHEMBL8094325 0.76 METAP2 (0.45) METAP1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4875157 0.74 RAB9A (0.46) ALDH1A1KDM4ETDP1MAPTHSD17B10
SCHEMBL29133411 0.74 DHODH (0.46) ALDH1A1KDM4EMAPTTOP1POLB
SCHEMBL4878663 0.73 NPC1 (0.36) ALDH1A1KDM4EMAPTHSD17B10SMN1; SMN2
SCHEMBL8087285 0.73 CYP19A1 (0.47) ALDH1A1KDM4ECYP19A1HSD17B10MAPK1

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
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed