SCHEMBL17899238

SCHEMBL17899238

c1ccc(-c2nc(-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)cc3)cc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
NTSR1 P30989 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GGPS1 O95749 1/20 0.38
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PRKDC P78527 2/20 0.37
PLA2G2A P14555 1/20 0.36
PLA2G4A P47712 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
SCHEMBL17899232 0.98 ALOX5 (0.45) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL17899221 0.98 ALOX5 (0.45) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL15501576 0.95 ALOX5 (0.47) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL15501754 0.95 ALOX5 (0.47) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL24687348 0.95 ALOX5 (0.47) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL19397634 0.94 ALOX5 (0.46) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL15501776 0.93 ALOX5 (0.47) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL17899191 0.93 ALOX5 (0.47) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL22104543 0.93 ALOX5 (0.44) ALOX5CYP1A1CYP1B1ALDH1A1MAPT
SCHEMBL15501823 0.93 ALOX5 (0.47) ALOX5CYP1A1CYP1B1ALDH1A1MAPT

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
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed