SCHEMBL22281671

SCHEMBL22281671

C1=CC(c2ccc3cc(-c4ccc5ccc6cccnc6c5n4)ccc3c2)Nc2cc(-c3ccc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)nc4c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.33
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL22282103 0.83 MEN1 (0.33) TOP1
SCHEMBL22970292 0.83 IGF1R (0.31)
SCHEMBL24475423 0.83 TOP1 (0.47) TOP1CYP1A1CYP1B1
SCHEMBL24475796 0.83
SCHEMBL22970233 0.82 TOP1 (0.30) TOP1
SCHEMBL22970588 0.81 CYP1A1 (0.38) CYP1A1CYP1B1
SCHEMBL24475510 0.80 TOP1 (0.44) TOP1CYP1A1CYP1B1
SCHEMBL24454177 0.80 TOP1 (0.48) TOP1CYP1A1CYP1B1
SCHEMBL24475413 0.80 TOP1 (0.50) TOP1
SCHEMBL24475599 0.78 TOP1 (0.46) TOP1

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-2020153740-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 WO disclosed