SCHEMBL9616372

SCHEMBL9616372

O=C(O)c1c(S)[nH]ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NOTUM Q6P988 1/20 0.36
CCR8 P51685 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRB P23467 1/20 0.33
PTPRE P23469 1/20 0.33
PTPN6 P29350 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
ENPP2 Q13822 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KEAP1 Q14145 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL10754874 0.72 KDM4E (0.42) KMT2AALDH1A1NOTUMNAPRTKDM4E
SCHEMBL20929054 0.71
SCHEMBL10468545 0.66 GPR84 (0.45) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL10600088 0.65 KMO (0.43) KMT2AKDM4EMAPTGAA
SCHEMBL1232001 0.64 CA12 (0.48) ALDH1A1NOTUMNAPRTPTPRCPTPN2
SCHEMBL9742694 0.64 KMT2A (0.41) KMT2AALDH1A1CCR8NAPRTDUSP3
SCHEMBL26619127 0.64 NAPRT (0.55) KMT2AALDH1A1NAPRTKDM4EHPGD
SCHEMBL20101949 0.62 KMT2A (0.39) KMT2AALDH1A1NOTUMCCR8NAPRT
Hydrochloric Acid SCHEMBL17597734 0.62 CA12 (0.46) ALDH1A1NAPRTPTPRCPTPN2PTPN1
SCHEMBL3653849 0.62 DPP4 (0.47) KMT2AALDH1A1CCR8NAPRTPTPRC

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
JP-4198185-A None JP disclosed
JP-H04198185-A ISOTHIAZOLO(5,4-B)PYRIDINE DERIVATIVE DAINIPPON PHARMACEUT CO LTD 1992-07-17 JP disclosed