SCHEMBL29035181

SCHEMBL29035181

CC(C)(C)OC(=O)NCc1cc(C#N)c(F)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
KDM4A O75164 1/20 0.38
NSD2 O96028 1/20 0.38
CTSS P25774 6/20 0.37
CTSK P43235 5/20 0.37
AAK1 Q2M2I8 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL25364821 0.79 NOTUM (0.32)
SCHEMBL29523614 0.79 CA12 (0.38) KDM4ACA12CA1CA2CA9
SCHEMBL29035153 0.78 KDM4A (0.37) KDM4ACA12CA1CA2CA9
SCHEMBL29523802 0.78 KDM4A (0.37) KDM4ACTSKCA12CA1CA2
SCHEMBL31751451 0.76 KDM4A (0.38) KDM4ANSD2CTSSCTSKCA1
SCHEMBL3154474 0.75 TRPA1 (0.46) TRPA1KDM4ANSD2CTSSCTSK
SCHEMBL31751696 0.75 KDM4A (0.37) KDM4ANSD2CTSSCTSKCA1
SCHEMBL29523586 0.75 CA1 (0.35) KDM4ACA12CA1CA2CA9
SCHEMBL588780 0.75 KDM4A (0.43) KDM4ACTSSCTSKCA12CA1
SCHEMBL6928939 0.74 TRPA1 (0.54) TRPA1KDM4ANSD2CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed