SCHEMBL19062794

SCHEMBL19062794

CN1C(=O)c2ccc3c4ccc5c6c(cc(/C=C/c7cc8c9c(ccc%10c%11ccc%12c%13c(ccc(c7c9%10)c%13%11)C(=O)NC%12=O)C(=O)N(C)C8=O)c(c7ccc(c2c37)C1=O)c64)C(=O)NC5=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 8/20 0.40
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ USP2 O75604 3/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ POLB P06746 2/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ WEE1 P30291 1/20 0.32
▸ PPOX P50336 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RGS12 O14924 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL19062416 1.00 TERT (0.40) TERTMEN1KMT2AUSP2KEAP1
SCHEMBL19062681 0.92 TERT (0.45) TERTMEN1KMT2AUSP2KEAP1
SCHEMBL19062676 0.92 TERT (0.45) TERTMEN1KMT2AUSP2KEAP1
SCHEMBL19062417 0.88 TERT (0.33) TERTMEN1KMT2AUSP2POLB
SCHEMBL19052074 0.84 STAT3 (0.44) TERTMEN1KMT2AUSP2STAT3
SCHEMBL19052062 0.84 STAT3 (0.44) TERTMEN1KMT2AUSP2STAT3
SCHEMBL12748863 0.83 TERT (0.49) TERTMEN1KMT2AUSP2KEAP1
SCHEMBL19472282 0.83 TERT (0.49) TERTMEN1KMT2AUSP2KEAP1
SCHEMBL19062802 0.82 TERT (0.30) TERT
SCHEMBL19062421 0.80 TERT (0.36) TERTMEN1KMT2AUSP2KEAP1

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
Send feedback