SCHEMBL9471998

SCHEMBL9471998

CCc1ncnc(NCCOc2ccc(Oc3ccccc3)cc2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
PIK3R1 P27986 1/20 0.51
LTA4H P09960 5/20 0.46
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
DRD3 P35462 5/20 0.41
HTR7 P34969 1/20 0.40
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.40
PLA2G2A P14555 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9737429 0.88 L3MBTL1 (0.47) PIK3CDPIK3R1LTA4H
SCHEMBL11109514 0.79 PIK3CD (0.57) PIK3CDPIK3R1ALDH1A1DRD2DRD4
SCHEMBL11104537 0.78 PIK3CD (0.56) PIK3CDPIK3R1ALDH1A1DRD2DRD4
SCHEMBL10513141 0.78 HTR7 (0.35) PIK3CDPIK3R1ALDH1A1DRD2DRD4
SCHEMBL15684755 0.78 HTT (0.49) RAB9A
SCHEMBL8307878 0.77 HTT (0.54) PIK3CDPIK3R1ALDH1A1NPC1RAB9A
SCHEMBL10463534 0.76 CRHR1 (0.44) LTA4HALDH1A1
SCHEMBL17051142 0.76 HTT (0.42) RAB9A
SCHEMBL15684774 0.75 HTT (0.44) RAB9A
SCHEMBL15684866 0.74 PDE2A (0.42) LTA4HRAB9A

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
JP-5105671-A None JP disclosed
JP-H05105671-A PYRIMIDINE DERIVATIVE, ITS PRODUCTION AND INSECTICIDE AND ACARIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1993-04-27 JP disclosed