SCHEMBL20180830

SCHEMBL20180830

COc1cccc(OC)c1N/C(=N/N)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KAT6A Q92794 2/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
BCL3 P20749 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CTSD P07339 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PYGL P06737 2/20 0.37

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
SCHEMBL20167669 1.00 NPC1 (0.48) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20180716 0.87 SMN1; SMN2 (0.49) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL18927598 0.79 SMN1; SMN2 (0.41) NPC1SMN1; SMN2RAB9AHPGDALDH1A1
SCHEMBL20167556 0.78 SMN1; SMN2 (0.68) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL21376332 0.78 SMN1; SMN2 (0.51) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20167853 0.78 HPGD (0.51) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20180831 0.78 NPC1 (0.55) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20385129 0.76 HPGD (0.50) NPC1SMN1; SMN2RAB9AHPGDALDH1A1
SCHEMBL11653906 0.72 SIGMAR1 (0.49) SMN1; SMN2RAB9AHPGDALDH1A1KDM4E
SCHEMBL11653902 0.72 SIGMAR1 (0.49) SMN1; SMN2RAB9AHPGDALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed