SCHEMBL9072193

SCHEMBL9072193

O=C(N/N=C/c1cccc(/C=C/c2ccccn2)c1)c1ccc(O)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 2/20 0.64
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
OPRK1 P41145 2/20 0.56
ADCYAP1R1 P41586 6/20 0.55
GCGR P47871 3/20 0.54
MEN1 O00255 2/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9072177 0.93 KMT2A (0.65) AGTR1KMT2APOLBNPC1RAB9A
SCHEMBL2664364 0.86 ADCYAP1R1 (0.60) KMT2ANPC1RAB9AADCYAP1R1GCGR
SCHEMBL2664365 0.85 NPC1 (0.59) KMT2APOLBNPC1RAB9AADCYAP1R1
SCHEMBL2664386 0.84 GCGR (0.73) AGTR1KMT2APOLBGCGR
SCHEMBL2664426 0.83 ADCYAP1R1 (0.56) KMT2APOLBNPC1RAB9AADCYAP1R1
SCHEMBL2664458 0.82 GCGR (0.58) NPC1RAB9AADCYAP1R1GCGRSMN1; SMN2
SCHEMBL9072264 0.81 ADCYAP1R1 (0.55) NPC1RAB9AADCYAP1R1GCGRSMN1; SMN2
SCHEMBL9072403 0.81 ADCYAP1R1 (0.64) KMT2ANPC1RAB9AADCYAP1R1GCGR
SCHEMBL2664199 0.80 ADCYAP1R1 (0.62) ADCYAP1R1GCGR
SCHEMBL2664192 0.80 ADCYAP1R1 (0.64) KMT2APOLBNPC1RAB9AADCYAP1R1

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-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed