SCHEMBL23770700

SCHEMBL23770700

Cc1ccccc1-c1nc(NSc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3C(=O)O)n2)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
MCL1 Q07820 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
SFRP1 Q8N474 2/20 0.33
CKS1B P61024 2/20 0.33
SKP1 P63208 2/20 0.33
SKP2 Q13309 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
MAPT P10636 1/20 0.32
ACKR3 P25106 1/20 0.32
PRKCQ Q04759 1/20 0.32
P2RX7 Q99572 2/20 0.32
SYK P43405 1/20 0.32
IDH1 O75874 1/20 0.32
USP30 Q70CQ3 1/20 0.32
RORC P51449 1/20 0.31

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
SCHEMBL23770697 0.87 CKS1B (0.41) SMARCA2SMARCA4PBRM1CKS1BSKP1
SCHEMBL23770692 0.87 EIF2AK4 (0.38) MCL1SFRP1CKS1BSKP1SKP2
SCHEMBL29464438 0.85 MCL1 (0.39) HDAC6HDAC8MCL1SMARCA2SMARCA4
SCHEMBL19925770 0.85 MCL1 (0.39) HDAC6HDAC8MCL1SMARCA2SMARCA4
SCHEMBL29464355 0.85 MCL1 (0.39) HDAC6HDAC8MCL1SMARCA2SMARCA4
SCHEMBL19925020 0.85 MCL1 (0.39) HDAC6HDAC8MCL1SMARCA2SMARCA4
SCHEMBL23770846 0.83 HTR2C (0.35)
SCHEMBL23770806 0.81 RBP4 (0.36) SYKRORC
SCHEMBL23770842 0.81 RBP4 (0.32)
SCHEMBL23770612 0.79 GPR119 (0.41) CKS1BSKP1SKP2GPR119

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed