SCHEMBL19543740

SCHEMBL19543740

c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cc(-c6cccnc6)ccn5)ccc4c3)c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.56
CYP11B1 P15538 7/20 0.56
CYP19A1 P11511 6/20 0.56
CYP17A1 P05093 4/20 0.56
CYP2A6 P11509 3/20 0.43
PIK3CA P42336 1/20 0.43
DHODH Q02127 1/20 0.43
KMO O15229 1/20 0.43
FHIT P49789 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL24403785 0.89 CYP11B2 (0.50) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL10032431 0.89 CYP11B2 (0.70) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL19009621 0.88 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL19009625 0.86 CYP11B2 (0.58) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL17320786 0.86 CYP11B1 (0.46) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL13016367 0.86 CYP11B2 (0.57) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL13015741 0.85 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL9973738 0.85 CYP2A6 (0.58) CYP11B1CYP19A1CYP2A6KMOFHIT
SCHEMBL10032221 0.82 CYP11B2 (0.73) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL15977568 0.82 CYP1A1 (0.42) CYP11B2CYP11B1CYP19A1CYP17A1PIK3CA

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
US-20170317294-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-02 US disclosed