SCHEMBL17533367

SCHEMBL17533367

CN1CNC(c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.43
GAA P10253 1/20 0.42
BRD4 O60885 1/20 0.39
GID4 Q8IVV7 3/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
RGS12 O14924 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL17533030 0.85 BRD4 (0.38) PRCPBRD4SLC6A2SLC6A4SLC6A3
SCHEMBL11714775 0.83 PRCP (0.49) PRCPGAAGID4SLC6A2SLC6A3
SCHEMBL15583215 0.78 BRD4 (0.41) PRCPGAABRD4SLC6A2SLC6A4
SCHEMBL28170137 0.75 PRCP (0.40) PRCPGAABRD4GID4SLC6A2
SCHEMBL28169559 0.74 NOTUM (0.38) PRCPGAABRD4MTNR1AMTNR1B
SCHEMBL7227792 0.73 BRPF1 (0.49) PRCPGAABRD4LMNAMAPK1
SCHEMBL11715268 0.69 PRCP (0.45) PRCPGAAGID4LMNA
SCHEMBL28170136 0.69 GPR3 (0.35) PRCPGAABRD4GID4SLC6A2
SCHEMBL17533251 0.69 BRD4 (0.40) BRD4
SCHEMBL11884404 0.68 PRKCD (0.36) LMNA

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-2016028110-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-02-25 WO disclosed