SCHEMBL9812684

SCHEMBL9812684

CN(C)C=Nc1nc(NC2CC2)nc(N)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 6/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL120066 0.79 CTSK (0.38) ALDH1A1MAPTKDM4EHSD17B10HPGD
Water SCHEMBL6817641 0.79 CTSK (0.38) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL10682817 0.76 KDM4E (0.35) ALOX15RECQLALDH1A1MAPTRAB9A
SCHEMBL9639510 0.76 ALOX15 (0.33) ALOX15RECQLALDH1A1RAB9AKDM4E
Cyromazine SCHEMBL5742773 0.73 CCNA2 (0.39) RAB9ANPC1CDK2CCNA2CCNA1
SCHEMBL9639451 0.71 NPSR1 (0.46) ALOX15ALDH1A1MAPTKDM4ELMNA
SCHEMBL27847094 0.69 MAPK8 (0.39) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL21933409 0.65 CTSK (0.36)
SCHEMBL4907067 0.63 PDE4A (0.44) KDM4EMAPK1
SCHEMBL11164213 0.61 KDM4E (0.42) RECQLALDH1A1KDM4EHSD17B10HPGD

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-0273862-B1 NON-AQUEOUS LIQUID ECTOPARASITICIDAL POUR-ON FORMULATION CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed