SCHEMBL14985335

SCHEMBL14985335

Cn1ccc2c3cc4ccc5c(ccn5C)c4cc3ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
DHFR P00374 1/20 0.43
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NQO2 P16083 1/20 0.39
PIK3CB P42338 1/20 0.37
RHEB Q15382 1/20 0.37
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ASH1L Q9NR48 1/20 0.35
HSD11B1 P28845 3/20 0.34
PTPN1 P18031 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL14985338 0.89 ALDH1A1 (0.42) PRKCIDHFRCYP2A6ALDH1A1KDM4E
SCHEMBL14985339 0.89 ALDH1A1 (0.57) PRKCIDHFRCYP2A6ALDH1A1KDM4E
SCHEMBL26569892 0.85 KDM4E (0.50) PRKCIDHFRCYP2A6ALDH1A1KDM4E
SCHEMBL17426202 0.80 KDM4E (0.46) PRKCIDHFRCYP2A6ALDH1A1KDM4E
SCHEMBL12278359 0.80 KDM4E (0.46) PRKCIDHFRCYP2A6ALDH1A1KDM4E
SCHEMBL12278750 0.78 CYP2A6 (0.47) PRKCICYP2A6ALDH1A1KDM4EMAPT
SCHEMBL822778 0.78 ALDH1A1 (0.52) PRKCIDHFRCYP2A6ALDH1A1KDM4E
SCHEMBL26569882 0.76 PRKCI (0.44) PRKCIDHFRCYP2A6ALDH1A1KDM4E
SCHEMBL12278804 0.74 CYP2A6 (0.47) PRKCICYP2A6ALDH1A1KDM4EMAPT
SCHEMBL15028094 0.71 CYP2A6 (0.41) PRKCICYP2A6ALDH1A1KDM4EMAPT

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-2013078407-A1 COMPOUNDS HAVING SEMICONDUCTING PROPERTIES AND RELATED COMPOSITIONS AND DEVICES POLYERA CORPORATION (US) 2013-05-30 WO disclosed