SCHEMBL31600640

SCHEMBL31600640

CC(C)(C)OC(=O)NCCc1c(I)cc(C(F)(F)F)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ NQO2 P16083 1/20 0.39
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL31600954 0.87 STK17B (0.46) LMNAHPGDGAANQO2STK17B
SCHEMBL31600842 0.76 NQO2 (0.42) LMNAHPGDGAANQO2STK17B
SCHEMBL31599943 0.75 STK17B (0.46) LMNAHPGDGAANQO2STK17B
SCHEMBL31600169 0.74 NQO2 (0.41) LMNAHPGDGAANQO2STK17B
SCHEMBL18072351 0.73 CACNA1H (0.46) GAASTK17BSTK17ACACNA1HCACNA1B
SCHEMBL4864493 0.73 NQO2 (0.40) NQO2STK17BSTK17AALDH1A1HTT
SCHEMBL20399840 0.72 CACNA1H (0.45) LMNAGAASTK17BSTK17AKDM4E
SCHEMBL23979680 0.72 HTT (0.51) LMNAHPGDGAANQO2STK17B
SCHEMBL3629297 0.70 NQO2 (0.48) LMNAHPGDGAANQO2STK17B
SCHEMBL1186965 0.70 CACNA1H (0.45) GAANQO2STK17BSTK17AALDH1A1

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-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 — — WO disclosed
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