SCHEMBL24852649

SCHEMBL24852649

CC1(c2ccc(Cc3cc4ccccc4[nH]c3=O)cc2)CNC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.63
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL24852647 0.85 IL4I1 (0.63) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24851835 0.82 IL4I1 (0.62) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30162720 0.82 IL4I1 (0.62) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24852065 0.82 IL4I1 (0.54) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24852527 0.77 IL4I1 (1.00) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24851784 0.76 IL4I1 (0.60) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24851822 0.76 IL4I1 (0.56) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL32681268 0.76 KDM4E (0.67) IL4I1ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL24852076 0.75 IL4I1 (0.54) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24851945 0.75 IL4I1 (0.56) IL4I1ALDH1A1KDM4EHPGDHSD17B10

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-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
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