SCHEMBL28468401

SCHEMBL28468401

ClSc1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.63
POLB P06746 2/20 0.59
TXN P10599 2/20 0.58
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
EPHX2 P34913 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
AR P10275 2/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ABCB11 O95342 1/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.53
STAT3 P40763 1/20 0.53

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
SCHEMBL3792726 0.83 BCHE (0.68) BCHEPOLBTXNRAB9ANPC1
SCHEMBL159798 0.83 TXN (0.72) BCHEPOLBTXNRAB9ANPC1
SCHEMBL31019381 0.81 TXN (0.70) BCHEPOLBTXNRAB9ANPC1
SCHEMBL3688773 0.81 TXN (0.70) BCHEPOLBTXNRAB9ANPC1
SCHEMBL29367169 0.79 POLB (0.65) BCHEPOLBTXNRAB9ANPC1
SCHEMBL8077898 0.79 BCHE (0.63) BCHEPOLBTXNRAB9ANPC1
SCHEMBL374735 0.79 POLB (0.65) BCHEPOLBTXNRAB9ANPC1
SCHEMBL9399224 0.79 BCHE (0.63) BCHEPOLBTXNRAB9ANPC1
SCHEMBL6746125 0.79 BCHE (0.63) BCHEPOLBTXNRAB9ANPC1
SCHEMBL1451877 0.79 BCHE (0.63) BCHEPOLBTXNRAB9ANPC1

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
CN-108947967-B Preparation method of lansoprazole 迪嘉药业集团有限公司 2020-10-30 CN disclosed