SCHEMBL21393470

SCHEMBL21393470

C=C(N)c1c(C)cc(Cl)nc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL18742213 0.81 POLB (0.58) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL18704142 0.74 POLB (0.57) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL26093940 0.72 KDM4E (0.45) POLBALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL23860779 0.71 NOS3 (0.38) ALDH1A1SMN1; SMN2MAPK1KMT2AKDM4E
SCHEMBL30689574 0.71 NOS3 (0.38) ALDH1A1SMN1; SMN2MAPK1KMT2AKDM4E
SCHEMBL15819694 0.71 CYP3A4 (0.40) POLBALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL23797868 0.70 TERT (0.40) ALDH1A1MAPK1KMT2AKDM4ECYP3A4
SCHEMBL29434710 0.69 POLB (0.72) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL2094424 0.69 POLB (0.72) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL25337588 0.68 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed