SCHEMBL17899240

SCHEMBL17899240

c1ccc(-c2nc(-c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 5/20 0.41
NTSR1 P30989 1/20 0.41
KDM4E B2RXH2 5/20 0.41
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
PLA2G2A P14555 2/20 0.40
PLA2G4A P47712 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL17899248 0.99 CYP1A1 (0.46) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL15501316 0.98 CYP1A1 (0.48) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL17899226 0.98 CYP1A1 (0.45) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL15964251 0.98 CYP1A1 (0.48) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL22104540 0.97 CYP1A1 (0.50) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL15501372 0.96 CYP1A1 (0.46) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL15501468 0.96 CYP1A1 (0.49) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL15501269 0.96 CYP1A1 (0.48) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL15501303 0.96 CYP1A1 (0.48) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL15501486 0.95 CYP1A1 (0.47) CYP1A1CYP1B1KMT2AMEN1ALDH1A1

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