SCHEMBL20181394

SCHEMBL20181394

COCCn1c(C)nnc1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.49
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
OPRK1 P41145 3/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
PAX8 Q06710 1/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14946922 0.76 CDK9 (0.42) APLNRNPC1TSHRTP53ALDH1A1
SCHEMBL20181127 0.75 APLNR (0.51) APLNRNPC1SMN1; SMN2TSHRTP53
SCHEMBL20181311 0.75 APLNR (0.53) APLNRNPC1SMN1; SMN2TSHRTP53
SCHEMBL27130016 0.71 L3MBTL1 (0.53) NPC1SMN1; SMN2TP53ALDH1A1RAB9A
SCHEMBL20181280 0.70 APLNR (0.52) APLNRNPC1SMN1; SMN2TSHRTP53
SCHEMBL19549092 0.68 ALDH1A1 (0.51) APLNRNPC1SMN1; SMN2TSHRTP53
SCHEMBL18482477 0.67 APLNR (0.76) APLNRNPC1SMN1; SMN2TSHRTP53
SCHEMBL1959294 0.66 TP53 (0.43) APLNRNPC1SMN1; SMN2TSHRTP53
SCHEMBL23202350 0.66 KDM4E (0.42) NPC1SMN1; SMN2TP53ALDH1A1RAB9A
SCHEMBL19914238 0.65 ALDH1A1 (0.41) SMN1; SMN2TSHRALDH1A1NPSR1MAPT

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-2018093580-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed