SCHEMBL9490612

SCHEMBL9490612

CC(C#N)C(N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.54
TRPA1 O75762 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
F2 P00734 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL8763270 0.77 TRPA1 (0.48) TRPA1TSHRKDM4EADRA2AADRA2C
SCHEMBL27168775 0.77 TRPA1 (0.48) TRPA1TSHRKDM4EADRA2AADRA2C
SCHEMBL19588488 0.77 TRPA1 (0.48) TRPA1TSHRKDM4EADRA2AADRA2C
SCHEMBL17947371 0.76 DPP4 (0.56) DPP4TRPA1TSHRKDM4EADRA2A
SCHEMBL13950138 0.74 TSHR (0.56) TRPA1TSHRKDM4EADRA2AADRA2C
SCHEMBL4981519 0.74 TSHR (0.56) TRPA1TSHRKDM4EADRA2AADRA2C
SCHEMBL1548275 0.74 TRPA1 (0.45) TRPA1TSHRKDM4EADRA2AADRA2C
SCHEMBL13950141 0.74 TSHR (0.56) TRPA1TSHRKDM4EADRA2AADRA2C
SCHEMBL11418520 0.74 TSHR (0.56) DPP4TRPA1TSHRKDM4EADRA2A
SCHEMBL5797085 0.74 TRPA1 (0.45) DPP4TRPA1TSHRKDM4EADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323399-B1 OPTICAL BRIGHTENER DISPERSION CIBA-GEIGY AG (CH) 1993-02-17 EP claimed
US-5051111-A Whitener dispersion CIBA-GEIGY CORPORATION (US) 1991-09-24 US claimed
CN-111491925-B Pesticidal compounds 巴斯夫欧洲公司 2023-12-29 CN disclosed
WO-2020079652-A1 KINASE INHIBITORS Insilico Medicine Hong Kong Limited (CN) 2020-04-23 WO disclosed
US-5051111-A Whitener dispersion CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed