SCHEMBL11557463

SCHEMBL11557463

CS(=O)(=O)C(C#N)=Cc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PPME1 Q9Y570 3/20 0.44
▸ APEH P13798 1/20 0.44
▸ NFKB1 P19838 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAOB P27338 3/20 0.40
▸ TNF P01375 1/20 0.39
▸ IL6 P05231 1/20 0.39
▸ SLC22A12 Q96S37 2/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL11567419 0.81 LMNA (0.46) LMNASMN1; SMN2NFKB1MEN1KMT2A
SCHEMBL11563623 0.79 PKM (0.46) LMNASMN1; SMN2PPME1MEN1KMT2A
SCHEMBL11580970 0.78 PPME1 (0.48) LMNASMN1; SMN2PPME1APEHMEN1
SCHEMBL11563828 0.77 PPME1 (0.47) LMNASMN1; SMN2PPME1APEHMEN1
SCHEMBL11562973 0.77 TRPA1 (0.57) PPME1APEHMEN1KMT2AKDM4E
SCHEMBL3368306 0.76 TRPA1 (0.55) LMNASMN1; SMN2NFKB1MEN1KMT2A
SCHEMBL11567151 0.75 KDM4E (0.58) LMNAPPME1APEHMEN1KMT2A
SCHEMBL10986168 0.75 NFKB1 (0.47) LMNASMN1; SMN2NFKB1MEN1KMT2A
SCHEMBL4661446 0.73 LMNA (0.61) LMNASMN1; SMN2NFKB1KMT2AMAOB
SCHEMBL4661444 0.73 LMNA (0.61) LMNASMN1; SMN2NFKB1KMT2AMAOB

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-4162321-A Sulphur-containing amino-dihydropyridines, and their use as medicants BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 — — US disclosed
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