SCHEMBL31417807

SCHEMBL31417807

CC(C)(C)OC(=O)NC1CN(c2cc(F)c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c3ccoc23)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ GYS1 P13807 3/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL31417767 0.84 RORC (0.38) RORCKMT2AL3MBTL1PDE10AGABRA5
SCHEMBL31417543 0.78 GYS1 (0.33) GYS1GRM5
SCHEMBL30407855 0.77 CKS1B (0.42) RORCKMT2AL3MBTL1PDE10AGABRA5
SCHEMBL31417628 0.77 RIPK1 (0.34) GYS1
SCHEMBL31653790 0.76 CKS1B (0.47) RORCKMT2AL3MBTL1CKS1BSKP1
SCHEMBL30965571 0.75 CKS1B (0.42) RORCKMT2AL3MBTL1CKS1BSKP1
SCHEMBL25825537 0.75 CKS1B (0.42) RORCKMT2AL3MBTL1CKS1BSKP1
SCHEMBL31312899 0.74 CCNT1 (0.43) KMT2AGABRA5CCNT1CCNA2CDK2
SCHEMBL31417736 0.74 NLRP3 (0.39) PDE10ANLRP3
SCHEMBL31520698 0.73 HTR3A (0.39) RORCKMT2AL3MBTL1PDE10ACKS1B

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
WO-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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