SCHEMBL21401191

SCHEMBL21401191

c1ccc(-c2nc3c(nc2-c2cccc(-n4c5ccc6ccccc6c5c5c6ccccc6c6c7ccc8ccccc8c7sc6c54)c2)oc2ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL19543993 0.92 CYP1A1 (0.33) CYP1A1CYP1B1CA12CA9
SCHEMBL19784601 0.86 CYP1A1 (0.32) CYP1A1CYP1B1CA12CA9
SCHEMBL19543980 0.84 CYP1A1 (0.31) CYP1A1CYP1B1
SCHEMBL20988822 0.81 CYP1A1 (0.32) CYP1A1CYP1B1
SCHEMBL19543986 0.79 CYP1A1 (0.31) CYP1A1CYP1B1
SCHEMBL19543995 0.79 CYP1A1 (0.33) CYP1A1CYP1B1
SCHEMBL19543842 0.78 CYP1A1 (0.33) CYP1A1CYP1B1CA12CA9
SCHEMBL19832027 0.78 CYP1A1 (0.32) CYP1A1CYP1B1
SCHEMBL20197517 0.78
SCHEMBL19543910 0.78

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-20190296248-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2019-09-26 US disclosed