SCHEMBL29528802

SCHEMBL29528802

CS(=O)(=O)N1CC(NC(=O)c2nccs2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MGLL Q99685 1/20 0.39
GRM4 Q14833 5/20 0.38
HSPA9 P38646 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
RORC P51449 1/20 0.35
GCK P35557 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL28883221 0.80 ALDH1A1 (0.42) TNKSALDH1A1MGLLGRM4HSPA9
SCHEMBL28883224 0.80 ALDH1A1 (0.42) TNKSALDH1A1MGLLGRM4HSPA9
SCHEMBL3620307 0.78 TNKS (0.52) TNKSALDH1A1HSPA9SMYD3CYP1A2
SCHEMBL12181482 0.75 MEN1 (0.54) TNKSALDH1A1CYP1A2SMN1; SMN2GAA
SCHEMBL29529071 0.74 ALDH1A1 (0.44) TNKSALDH1A1MGLLGRM4HSPA9
SCHEMBL5738394 0.74 TSHR (0.60) TNKSALDH1A1CYP1A2SMN1; SMN2GAA
SCHEMBL29528959 0.74 ALDH1A1 (0.44) TNKSALDH1A1MGLLGRM4HSPA9
SCHEMBL3874026 0.72 HRH3 (0.48) TNKSALDH1A1HSPA9
SCHEMBL29529436 0.71 TNKS (0.47) TNKSALDH1A1GRM4MEN1TSHR
SCHEMBL5774113 0.71 TNKS (0.45) TNKSALDH1A1SMYD3CYP1A2MEN1

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
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed