SCHEMBL9399224

SCHEMBL9399224

OSc1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.63
EPHX2 P34913 1/20 0.61
POLB P06746 2/20 0.59
TXN P10599 2/20 0.58
KMT2A Q03164 3/20 0.57
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.54
AR P10275 1/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 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
SCHEMBL159798 0.83 TXN (0.72) BCHEEPHX2POLBTXNKMT2A
SCHEMBL3792726 0.83 BCHE (0.68) BCHEEPHX2POLBTXNKMT2A
SCHEMBL3688773 0.81 TXN (0.70) BCHEEPHX2POLBTXNKMT2A
SCHEMBL31019381 0.81 TXN (0.70) BCHEEPHX2POLBTXNKMT2A
SCHEMBL28468401 0.79 BCHE (0.63) BCHEEPHX2POLBTXNKMT2A
SCHEMBL29367169 0.79 POLB (0.65) BCHEEPHX2POLBTXNKMT2A
SCHEMBL374735 0.79 POLB (0.65) BCHEEPHX2POLBTXNKMT2A
SCHEMBL1451877 0.79 BCHE (0.63) BCHEEPHX2POLBTXNKMT2A
SCHEMBL8077898 0.79 BCHE (0.63) BCHEEPHX2POLBTXNKMT2A
SCHEMBL6746125 0.79 BCHE (0.63) BCHEEPHX2POLBTXNKMT2A

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
US-5371102-A N,n-disubstituted thiocarbamide UNIVERSITY OF HAWAII (US) 1994-12-06 US disclosed