SCHEMBL17027595

SCHEMBL17027595

N#Cc1cc(F)ccc1N=C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPA1 O75762 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ USP8 P40818 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ USP47 Q96K76 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL28119044 0.95 CYP3A4 (0.33) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL13073880 0.81 TRPV4 (0.34) CYP3A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL24902229 0.79 CYP3A4 (0.52) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL10712015 0.78 VCAM1 (0.42) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL17027553 0.78 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL76596 0.76 ALDH1A1 (0.40) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL29533142 0.76 ALDH1A1 (0.40) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL20798345 0.75 CYP3A4 (0.35) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL17027574 0.74 CYP2A6 (0.40) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL420514 0.73 CYP3A4 (0.48) CYP3A4ALDH1A1HPGDTDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 — — CN disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 — — CN disclosed
US-20180298557-A1 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED TREATED PAPERBOARDS AND PAPER MEDIA BASF CORPORATION 2018-10-18 — — US disclosed
EP-3107946-B1 A POLYISO-UREA BASF SE (DE) 2018-08-08 — — EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 — — US disclosed
US-20170058075-A1 POLYISO-UREA BASF SE (DE) 2017-03-02 — — US disclosed
US-20170058074-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2017-03-02 — — US disclosed
EP-3107945-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2016-12-28 — — EP disclosed
EP-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 — — EP disclosed
WO-2015127041-A1 A POLYISO-UREA BASF SE (DE) 2015-08-27 — — WO disclosed
WO-2015127038-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2015-08-27 — — WO disclosed
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