SCHEMBL21067359

SCHEMBL21067359

C/C(=C1/SC(=N)NC1=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 1.00
GSK3B P49841 6/20 1.00
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
POLB P06746 6/20 0.57
BLM P54132 1/20 0.57
PDK1 Q15118 1/20 0.57
NR2E3 Q9Y5X4 1/20 0.57
AHR P35869 1/20 0.46
G6PD P11413 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
GAA P10253 1/20 0.42
ALPL P05186 1/20 0.41
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KLKB1 P03952 1/20 0.39

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
SCHEMBL23752472 0.73 GSK3B (1.00) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL26054607 0.67 KDM4E (0.54) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL5188402 0.65 CDK2 (0.48) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL5189038 0.65 CDK2 (0.48) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL5143187 0.64 CDK2 (0.47) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL3758734 0.64 CDK2 (0.47) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL18891690 0.63 ALDH1A1 (0.60) GSK3BMEN1KMT2APOLBG6PD
SCHEMBL3364834 0.63 MEN1 (1.00) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL12990149 0.63 MEN1 (1.00) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL3364832 0.63 MEN1 (1.00) CDK2GSK3BMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 EP disclosed
EP-4162076-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-04-12 EP disclosed
WO-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 WO disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed