SCHEMBL13496002

SCHEMBL13496002

CNNCc1cc(C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4C Q9H3R0 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
AMY1A P0DUB6 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
P2RX7 Q99572 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL13948898 0.83 TAAR1 (0.52) TAAR1NPC1RAB9AKDM4CGAA
SCHEMBL5252725 0.77 TAAR1 (0.60) TAAR1NPC1RAB9AKMT2AGAA
SCHEMBL11618418 0.77 TAAR1 (0.55) TAAR1NPC1RAB9AKDM4CKMT2A
SCHEMBL10746076 0.75 ALDH1A1 (0.49) TAAR1NPC1RAB9AKDM4CKMT2A
SCHEMBL29712514 0.74 TAAR1 (0.63) TAAR1NPC1RAB9AKMT2AGAA
SCHEMBL10934302 0.74 TAAR1 (0.63) TAAR1NPC1RAB9AKMT2AGAA
SCHEMBL10317338 0.73 TAAR1 (0.56) TAAR1NPC1RAB9AKMT2AGAA
SCHEMBL9491792 0.72 TAAR1 (0.74) TAAR1NPC1RAB9AKMT2AGAA
SCHEMBL11879864 0.72 CHRM2 (0.48) TAAR1NPC1RAB9AKDM4CKMT2A
SCHEMBL5542553 0.72 NPC1 (0.46) TAAR1NPC1RAB9AKDM4CKMT2A

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
EP-1097932-B1 Substituted aminoquinazolinone (thione) derivatives or salts thereof, intermediates thereof, and pest controllers and a method for using the same NIHON NOHYAKU CO LTD (JP) 2010-02-10 EP disclosed