SCHEMBL13016367

SCHEMBL13016367

c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc(-c6cccnc6)nc5)ccc4c3)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.57
CYP11B1 P15538 8/20 0.57
CYP19A1 P11511 7/20 0.57
CYP17A1 P05093 4/20 0.57
CYP2A6 P11509 3/20 0.47
DHODH Q02127 1/20 0.46
CYP3A4 P08684 1/20 0.46
ERN1 O75460 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
ABL1 P00519 1/20 0.44
PGR P06401 1/20 0.43

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
SCHEMBL15977725 0.94 CYP11B2 (0.58) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL15977585 0.94 CYP11B2 (0.58) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL13016059 0.92 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL13658730 0.91 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL10032431 0.90 CYP11B2 (0.70) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL15977824 0.90 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL15977600 0.90 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL15977518 0.90 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL13759440 0.89 CYP2A6 (0.48) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL13015737 0.89 HSD17B1 (0.45) CYP11B2CYP11B1CYP19A1CYP17A1CYP3A4

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-2010137678-A1 ELECTRON TRANSPORTING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME チッソ株式会社 (JP) 2010-12-02 WO disclosed