SCHEMBL21393794

SCHEMBL21393794

C=C/C=N\c1nccc(Cl)c1C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21393412 0.80 TYK2 (0.35) ALDH1A1JAK2JAK1TYK2
SCHEMBL382884 0.70 TYK2 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10JAK2
SCHEMBL30765091 0.70 TYK2 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10JAK2
SCHEMBL27532136 0.67 TYK2 (0.37) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL9631416 0.63 DPP4 (0.42) KDM4EMEN1ALDH1A1TSHRKMT2A
SCHEMBL18676076 0.63 PLAU (0.49) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL27567268 0.62 P2RX7 (0.40) KDM4ENPC1ALDH1A1POLBHPGD
SCHEMBL21393825 0.62 CSNK1A1 (0.33) ALDH1A1POLBSMN1; SMN2CYP2C19
SCHEMBL21393782 0.61 CYP1A2 (0.32) ALDH1A1CYP1A2CYP2C19
SCHEMBL21014435 0.60 ACACB (0.41) JAK2JAK1TYK2

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