SCHEMBL8684040

SCHEMBL8684040

CC(=O)Nc1ccc(S(=O)(=O)C2CC(C(=O)NCC(C)C)NC2c2ccccc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PKM P14618 1/20 0.37
BDKRB1 P46663 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 3/20 0.35
NPSR1 Q6W5P4 2/20 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
SCHEMBL8666854 0.90 LMNA (0.37) MEN1KMT2AMAPTLMNAPKM
SCHEMBL8683956 0.88 POLB (0.36) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8683766 0.88 REN (0.38) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL8686069 0.86 RAB9A (0.38) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8683686 0.85 LMNA (0.38) MEN1KMT2ALMNAPKMALDH1A1
SCHEMBL8684526 0.85 CYP2C19 (0.43) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL8684409 0.81 KAT6A (0.39) LMNAHTTSMN1; SMN2PKMALDH1A1
Hydrochloric Acid SCHEMBL8684148 0.80 KAT6A (0.38) LMNAHTTSMN1; SMN2PKMALDH1A1
SCHEMBL8666356 0.75 LMNA (0.41) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL8666857 0.72 KMT2A (0.38) MEN1KMT2AMAPTLMNACYP3A4

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-5716936-A Pyrrolidine derivatives for the treatment of cholecystokinine and gastrine-related disorders RHONE-POULENC RORER S.A. (FR) 1998-02-10 US disclosed