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SCHEMBL17657449

SCHEMBL17657449

Cc1ccc2c(c1)N(C)C(=O)/C2=C1/C(=O)Oc2c1ccc1c3c(ccc21)/C(=C1\C(=O)N(C)c2cc(-c4ccc(-c5ccc(C)s5)s4)ccc21)C(=O)O3

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.36
▸ PRKDC P78527 1/20 0.33
▸ PRF1 P14222 16/20 0.33
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ CTSC P53634 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
SCHEMBL17657381 0.89 PGR (0.37) PGRPRKDCPRF1CTSC
SCHEMBL17657416 0.88 PGR (0.39) PGRPRF1DRD2HTR2AHTR2C
SCHEMBL17657415 0.87 PGR (0.38) PGRPRKDCPRF1CTSC
SCHEMBL17657452 0.86 — —
SCHEMBL17657441 0.86 PGR (0.37) PGRPRF1DRD2HTR2AHTR2C
SCHEMBL17657410 0.86 PGR (0.40) PGRPRKDCPRF1DRD2HTR2A
SCHEMBL17657444 0.84 PGR (0.39) PGRPRKDCPRF1DRD2HTR2A
SCHEMBL17657440 0.76 PRF1 (0.36) PGRPRF1
SCHEMBL25451161 0.76 ALDH1A1 (0.33) PGRPRKDC
SCHEMBL17657412 0.74 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170092865-A1 N-TYPE ORGANIC SEMICONDUCTOR FORMULATIONS AND DEVICES YUNING LI (CA) 2017-03-30 — — US disclosed
US-20160099412-A1 N-TYPE ORGANIC SEMICONDUCTOR FORMULATIONS AND DEVICES LI YUNING (CA) 2016-04-07 — — US disclosed
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