SCHEMBL24852499

SCHEMBL24852499

CC(c1nnc(Cc2cc3ccccc3[nH]c2=O)o1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.44
▸ KDM4E B2RXH2 10/20 0.44
▸ TSHR P16473 6/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL24851920 0.80 IL4I1 (0.47) IL4I1KDM4ETSHRHSD17B10APAF1
SCHEMBL24852507 0.79 IL4I1 (0.51) IL4I1KDM4ETSHRHSD17B10NPSR1
SCHEMBL24851962 0.79 IL4I1 (0.51) IL4I1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL24851925 0.78 IL4I1 (0.46) IL4I1KDM4ETSHRHSD17B10APAF1
SCHEMBL24852000 0.77 EGFR (0.55) IL4I1TSHRHSD17B10ALDH1A1HPGD
SCHEMBL24852003 0.77 ALDH1A1 (0.48) IL4I1KDM4ETSHRHSD17B10APAF1
SCHEMBL24852505 0.76 IL4I1 (0.41) IL4I1KDM4ETSHRHSD17B10APAF1
SCHEMBL24851918 0.76 IL4I1 (0.46) IL4I1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL24852008 0.75 GUSB (0.51) IL4I1KDM4EHSD17B10NPSR1ALDH1A1
SCHEMBL24851922 0.74 IL4I1 (0.44) IL4I1KDM4ETSHRHSD17B10NPSR1

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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