SCHEMBL8684409

SCHEMBL8684409

COc1cccc(S(=O)(=O)C2CC(C(=O)NCC(C)C)NC2c2ccccc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.39
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 3/20 0.35
ELOVL6 Q9H5J4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
MEP1B Q16820 1/20 0.34
RAB9A P51151 1/20 0.34
PSMB5 P28074 1/20 0.33

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
Hydrochloric Acid SCHEMBL8684148 0.99 KAT6A (0.38) KAT6AMTNR1AMTNR1BTHRBSMN1; SMN2
SCHEMBL8666854 0.88 LMNA (0.37) LMNAPKMALDH1A1
SCHEMBL8684165 0.85 CYP3A4 (0.43) KAT6ATHRBSMN1; SMN2RXFP1MAPK1
SCHEMBL8683844 0.84 REN (0.38) LMNAALDH1A1
SCHEMBL8683686 0.84 LMNA (0.38) KAT6ALMNAPKMALDH1A1
Hydrochloric Acid SCHEMBL8683766 0.83 REN (0.38) LMNAALDH1A1
SCHEMBL8683956 0.83 POLB (0.36) SMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL8684040 0.81 MEN1 (0.39) SMN1; SMN2LMNATSHRPKMALDH1A1
SCHEMBL8686069 0.81 RAB9A (0.38) SMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL8666356 0.74 LMNA (0.41) LMNAALDH1A1

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