SCHEMBL8028167

SCHEMBL8028167

c1ccc(C(c2ccccc2)c2cncnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.64
SLC6A4 P31645 3/20 0.64
SLC6A3 Q01959 3/20 0.64
CFTR P13569 1/20 0.64
GOPC Q9HD26 1/20 0.64
CYP19A1 P11511 5/20 0.61
ATM Q13315 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNN4 O15554 1/20 0.37
KCNA5 P22460 1/20 0.37
KDM4E B2RXH2 1/20 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
SCHEMBL8176557 0.88 CYP19A1 (0.85) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL8176785 0.88 CYP19A1 (0.55) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL8696779 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL6476580 0.78 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL144 0.78 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL27907795 0.78 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CFTRGOPC
Ammonia Solution, Strong SCHEMBL6000375 0.76 SLC6A2 (0.95) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL3274982 0.76 CYP19A1 (1.00) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL3434951 0.76 SMN1; SMN2 (0.67) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL27490423 0.76 ATM (0.44) SLC6A2SLC6A4SLC6A3CFTRGOPC

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
US-6096754-A N-3 substituted pyrimidin-4-ones with AII antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 2000-08-01 US disclosed