SCHEMBL9926048

SCHEMBL9926048

O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@@H](F)[C@H](c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
PAX8 Q06710 2/20 0.47
CCR5 P51681 1/20 0.46
PARL Q9H300 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.42
HTR2B P41595 1/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7835509 0.73 CCR5 (0.87) CCR5
SCHEMBL1974783 0.72 ALDH1A1 (0.85) ALDH1A1GAAKMT2ATSHRSMN1; SMN2
SCHEMBL16030436 0.70 L3MBTL1 (0.47) ALDH1A1GAAKMT2AMEN1CCR5
SCHEMBL16030437 0.70 L3MBTL1 (0.47) ALDH1A1GAAKMT2AMEN1CCR5
SCHEMBL16030433 0.70 L3MBTL1 (0.47) ALDH1A1GAAKMT2AMEN1CCR5
SCHEMBL31681325 0.70 GAA (0.68) ALDH1A1GAAKMT2ATSHRSMN1; SMN2
SCHEMBL5407453 0.70 ALDH1A1 (1.00) ALDH1A1GAAKMT2ATSHRSMN1; SMN2
SCHEMBL7828983 0.70 CCR5 (0.63) ALDH1A1KMT2APOLBCCR5RAB9A
SCHEMBL16033007 0.68 PKM (0.52) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL16033005 0.68 PKM (0.52) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1

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
EP-1836180-B1 SULFONYL PYRROLIDINES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS SANOFI SA (FR) 2012-06-13 EP disclosed