SCHEMBL19062417

SCHEMBL19062417

O=C1NC(=O)c2ccc3c4c(/C=C/c5cc6c7c(ccc8c9c(/C=C/c%10cc%11c%12c(ccc%13c%14ccc%15c%16c(ccc(c%10c%12%13)c%16%14)C(=O)N(Cl)C%15=O)C(=O)NC%11=O)cc%10c%11c(ccc(c5c78)c%119)C(=O)N(Cl)C%10=O)C(=O)NC6=O)cc5c6c(ccc(c7ccc1c2c73)c64)C(=O)N(Cl)C5=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.33
▸ PPOX P50336 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ RGS12 O14924 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ BRCA1 P38398 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ GNAI1 P63096 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
SCHEMBL21726085 0.91 TERT (0.39) TERT
SCHEMBL19062416 0.88 TERT (0.40) TERTPPOXMEN1RGS12USP2
SCHEMBL19062794 0.88 TERT (0.40) TERTPPOXMEN1RGS12USP2
SCHEMBL19062676 0.79 TERT (0.45) TERTMEN1USP2POLBMAPT
SCHEMBL19062681 0.79 TERT (0.45) TERTMEN1USP2POLBMAPT
SCHEMBL19052062 0.79 STAT3 (0.44) TERTMEN1RGS12USP2POLB
SCHEMBL19052074 0.79 STAT3 (0.44) TERTMEN1RGS12USP2POLB
SCHEMBL26497018 0.76 TERT (0.42) TERTCYP1A2POLBMAPTTDP1
SCHEMBL19062802 0.73 TERT (0.30) TERT
SCHEMBL7598089 0.70 PARP1 (0.50) TERTPPOXMEN1RGS12USP2

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-20170186961-A1 ORGANIC SEMICONDUCTOR COMPOUNDS AND METHODS OF USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-06-29 — — US disclosed
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