SCHEMBL2802535

SCHEMBL2802535

C[S+]([O-])c1nc2ccccc2[nH]1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 2/20 0.48
ABCB11 O95342 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
DDAH1 O94760 1/20 0.46
MASP2 O00187 1/20 0.46
MEN1 O00255 1/20 0.46
NUDT1 P36639 1/20 0.46
KMT2A Q03164 1/20 0.46
AOC3 Q16853 1/20 0.46
GAA P10253 1/20 0.43
POLB P06746 3/20 0.42

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
SCHEMBL2799383 0.98 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL9790100 0.96 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
Pyridine SCHEMBL27754548 0.89 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL7046389 0.82 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL11355886 0.79 KDM4E (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9560922 0.79 DDAH1 (0.51) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL7288146 0.76 POLB (0.45) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL7289169 0.75 RAB9A (0.46) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL7289165 0.75 NPC1 (0.46) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL10849340 0.74 PDE3B (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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
WO-2010146428-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RABEPRAZOLE ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2010-12-23 WO disclosed