SCHEMBL30752372

SCHEMBL30752372

Clc1ccc2cc[nH]c2c1-c1nnco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 14/20 0.41
▸ AHR P35869 1/20 0.39
▸ TNF P01375 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 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
SCHEMBL31438268 0.76 AHR (0.39) AHRTNFRIPK1
SCHEMBL31438254 0.73 AHR (0.46) NOTUMAHRTNFRIPK1LMNA
SCHEMBL31319712 0.70 AHR (0.42) AHRTNFRIPK1
SCHEMBL30752361 0.70 AHR (0.39) AHRTNFRIPK1
SCHEMBL31438299 0.69 CA12 (0.38) NOTUMALDH1A1MAPTCA12CA1
SCHEMBL31438282 0.68 AHR (0.47) AHRTNFRIPK1CA12CA9
SCHEMBL31438285 0.67 AHR (0.50) AHRTNFRIPK1CA1CA2
SCHEMBL10529448 0.66 CCR1 (0.47) NOTUMLMNATSHRKDM4EHTT
SCHEMBL32691830 0.66 KDM4E (0.50) NOTUMLMNAKDM4EALDH1A1
SCHEMBL31319703 0.66 CCR1 (0.46) NOTUMAHRTNFRIPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562003-A1 NOVEL 7-SUBSTITUTED INDOLE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-04 — — EP disclosed
CN-119585257-A Novel 7-substituted indole sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-03-07 — — CN disclosed
WO-2024023128-A1 NOVEL 7-SUBSTITUTED INDOLE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-01 — — WO disclosed
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