SCHEMBL31022516

SCHEMBL31022516

CCNS(=O)(=O)c1cc(I)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.57
▸ ALDH1A1 P00352 7/20 0.43
▸ CA9 Q16790 2/20 0.42
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL10882778 0.78 VCAM1 (0.69) VCAM1ALDH1A1CA9HTTLMNA
SCHEMBL31022541 0.74 VCAM1 (0.50) VCAM1ALDH1A1CA9HTTLMNA
SCHEMBL11676296 0.73 POLB (0.49) VCAM1ALDH1A1HTTLMNATDP1
SCHEMBL6261490 0.72 VCAM1 (1.00) VCAM1ALDH1A1
SCHEMBL31022439 0.72 VCAM1 (0.69) VCAM1ALDH1A1HTTLMNAMAPK1
SCHEMBL1067773 0.71 HTT (0.44) ALDH1A1HTTLMNAMAPK1TDP1
SCHEMBL12631363 0.71 VCAM1 (0.43) VCAM1ALDH1A1CA9HTTLMNA
SCHEMBL10694269 0.71 CA1 (0.53) VCAM1ALDH1A1CA9LMNAKMT2A
SCHEMBL23092340 0.70 VCAM1 (0.65) VCAM1ALDH1A1CA9HTTMAPK1
SCHEMBL3012755 0.69 GPR35 (0.52) ALDH1A1HTTLMNAMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4656629-A1 INDOLE DERIVATIVE WITH SUBSTITUENT AND PHARMACEUTICAL USE MitoImmune Therapeutics Inc. (KR) 2025-12-03 — — EP disclosed
WO-2024158205-A1 INDOLE DERIVATIVE WITH SUBSTITUENT AND PHARMACEUTICAL USE 주식회사 미토이뮨테라퓨틱스 2024-08-02 — — WO disclosed
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