SCHEMBL30991310

SCHEMBL30991310

O=S(=O)(Nc1cnc(Br)cn1)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 3/20 0.45
▸ CCR4 P51679 2/20 0.39
▸ DYRK1A Q13627 1/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ IDO1 P14902 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
SCHEMBL23620132 1.00 EDNRA (0.45) EDNRACCR4DYRK1ANR4A2GPR84
SCHEMBL20339142 0.85 POLB (0.50) EDNRAPOLBMEN1KMT2AALDH1A1
SCHEMBL23620235 0.84 EDNRA (0.45) EDNRACCR4DYRK1AMEN1KMT2A
SCHEMBL30286552 0.81 EDNRA (0.45) EDNRADYRK1ANR4A2GPR84POLB
SCHEMBL20355221 0.81 KMT2A (0.48) EDNRAPOLBMEN1KMT2AALDH1A1
SCHEMBL20354701 0.81 SLC22A12 (0.47) HTT
SCHEMBL20355218 0.81 EDNRA (0.45) EDNRADYRK1ANR4A2GPR84POLB
SCHEMBL29560013 0.81 SLC22A12 (0.47) HTT
SCHEMBL20339162 0.79 NR4A2 (0.36) EDNRADYRK1ANR4A2GPR84POLB
SCHEMBL30286553 0.79 NR4A2 (0.36) EDNRADYRK1ANR4A2GPR84POLB

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-112469710-B Pyridyl and pyrazinyl- (aza) indole sulfonamides 优时比制药有限公司 2024-05-14 — — CN disclosed
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