SCHEMBL10949784

SCHEMBL10949784

CN(C)c1cccc(C(=O)S[C@H]2CC(=O)N2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD11B1 P28845 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL10949780 1.00 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10952057 1.00 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10954720 0.78 ALDH1A1 (0.40) BRD4CREBBPL3MBTL1ALDH1A1TSHR
SCHEMBL10954717 0.78 ALDH1A1 (0.40) BRD4CREBBPL3MBTL1ALDH1A1TSHR
SCHEMBL9384993 0.78 ALDH1A1 (0.40) BRD4CREBBPL3MBTL1ALDH1A1TSHR
SCHEMBL10951128 0.71 ALDH1A1 (0.46) KDM4EGFERKMT2AL3MBTL1HTT
SCHEMBL7056764 0.69 HPGD (0.59) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10952053 0.68 LMNA (0.41) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL334924 0.67 KDM4E (0.56) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL222176 0.67 KMT2A (0.58) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4524028-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1985-06-18 US disclosed
US-4518533-A Azetidinone-4-disulfides as intermediates for thia-aza compounds with a beta-lactam ring CIBA GEIGY CORPORATION (US) 1985-05-21 US disclosed
US-4515717-A INTERMEDIATES FOR 6-UNSUBSTITUTED PENICILLIN ANTIOBIOTICS CIBA GEIGY CORPORATION (US) 1985-05-07 US disclosed
US-4500457-A TREATING AN ACYLOXYAZETIDINONE WITH MERCAPTO COMPOUND, GLYOYLIC ESTER, HALOGENATION AGENT, AND PHOSPHINE COMPOUNT THEN CYCLIZATION CIBA-GEIGY CORPORATION (US) 1985-02-19 US disclosed
US-4447360-A Intermediates for thia-aza compounds with a β-lactam ring CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed
US-4331676-A 2-PENEM COMPOUNDS UNSUBSTITUTED IN THE 6 POSITION CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed