SCHEMBL24852507

SCHEMBL24852507

Cc1nnc(Cc2cc3ccccc3[nH]c2=O)o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 5/20 0.51
▸ KDM4E B2RXH2 9/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TSHR P16473 3/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL24851962 0.87 IL4I1 (0.51) IL4I1KDM4EALDH1A1HPGDBRD4
SCHEMBL24852502 0.82 KDM4E (0.45) IL4I1KDM4EALDH1A1HPGDBRD4
SCHEMBL24852000 0.82 EGFR (0.55) IL4I1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL24852008 0.82 GUSB (0.51) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24851918 0.81 IL4I1 (0.46) IL4I1KDM4EALDH1A1HPGDBRD4
SCHEMBL24852506 0.81 KDM4E (0.46) IL4I1KDM4EALDH1A1HPGDBRD4
SCHEMBL24852501 0.80 IL4I1 (0.56) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24851920 0.80 IL4I1 (0.47) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24852045 0.80 IL4I1 (0.43) IL4I1KDM4EALDH1A1HPGDBRD4
SCHEMBL24851911 0.79 IL4I1 (0.46) IL4I1KDM4EALDH1A1HPGDHSD17B10

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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