SCHEMBL8990056

SCHEMBL8990056

CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
GAA P10253 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CCR9 P51686 3/20 0.59
SQSTM1 Q13501 1/20 0.56
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
ALOX15 P16050 1/20 0.55

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
SCHEMBL26619 0.88 LMNA (0.72) LMNAHTTGAAMEN1ALDH1A1
SCHEMBL2529943 0.87 CCR9 (0.54) LMNAHTTCCR9
SCHEMBL4940505 0.85 CCR9 (0.73) LMNAHTTCCR9
SCHEMBL8989887 0.85 LMNA (0.77) LMNAHTTALDH1A1TP53MAPT
SCHEMBL28643 0.82 CCR9 (0.74) LMNAHTTGAAMEN1ALDH1A1
SCHEMBL8989935 0.82 LMNA (0.56) LMNAHTTTP53MAPTKMT2A
SCHEMBL29013 0.80 LMNA (0.70) LMNAHTTALDH1A1TP53MAPT
SCHEMBL28248 0.80 LMNA (0.70) LMNAHTTALDH1A1TP53MAPT
SCHEMBL2536261 0.80 ALDH1A1 (0.62) LMNAHTTGAAALDH1A1TP53
SCHEMBL27476 0.80 CRHBP (0.57) LMNAHTTTP53MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 US disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 US disclosed