SCHEMBL6691845

SCHEMBL6691845

CCOc1ccc(S(=O)(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1[C]=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.42
NPC1 O15118 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
AKR1C3 P42330 1/20 0.41
GHSR Q92847 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL6691847 0.81 LMNA (0.44) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL29897709 0.81 APEX1 (0.49) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL6490246 0.81 APEX1 (0.49) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL6490243 0.81 APEX1 (0.49) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL6491185 0.80 ALDH1A1 (0.46) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL6491181 0.80 ALDH1A1 (0.46) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL29897705 0.80 ALDH1A1 (0.46) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL25926241 0.77 ALDH1A1 (0.41) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL25925529 0.76 ALDH1A1 (0.41) ALDH1A1TSHRLMNANPC1HTT
SCHEMBL4184668 0.75 GPBAR1 (0.61) ALDH1A1TSHRLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400522-B1 COMPOUNDS FOR TREATING IMPOTENCE GUANGZHOU YOUCARE BIOPHARMACEATICS CO LTD (CN) 2014-08-06 EP disclosed
EP-1400522-A1 NEW COMPOUNDS FOR TREATING IMPOTENCE Liu, Baoshun (CN) 2004-03-24 EP disclosed