SCHEMBL11111683

SCHEMBL11111683

Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 2/20 0.51
CYP2C19 P33261 1/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45
OXTR P30559 1/20 0.44
TNF P01375 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1310091 0.83 KMT2A (0.67) MEN1KMT2AALDH1A1CYP2C19PKM
SCHEMBL5470612 0.82 KMT2A (0.62) MEN1KMT2ACYP2C19LMNAPKM
SCHEMBL11114824 0.81 CYP2C19 (0.71) MEN1KMT2AALDH1A1CYP2C19LMNA
SCHEMBL11120143 0.80 CYP2C19 (0.57) MEN1KMT2AALDH1A1CYP2C19LMNA
SCHEMBL14041008 0.78 KMT2A (0.61) KMT2ALMNA
SCHEMBL11114408 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1CYP2C19LMNA
SCHEMBL5478315 0.76 KMT2A (0.54) MEN1KMT2ACYP2C19LMNAPKM
SCHEMBL11602090 0.76 OPRM1 (0.56) MEN1KMT2AALDH1A1CYP2C19LMNA
SCHEMBL4437271 0.76 KDM1A (0.50) KMT2AMAPK1
SCHEMBL11115677 0.75 OXTR (0.55) MEN1KMT2AALDH1A1CYP2C19LMNA

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-0034415-B1 1-(CYCLOHEXYL OR CYCLOHEXENYL)-4-ARYL-4-PIPERIDINECARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-05-30 EP disclosed
US-4369184-A ANTIHISTAMINES; HETEROCYCLIC NITRILES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-18 US disclosed
EP-0034415-A1 1-(Cyclohexyl or cyclohexenyl)-4-aryl-4-piperidinecarboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-08-26 EP disclosed