SCHEMBL24853032

SCHEMBL24853032

N#CC1(c2ccc(Cc3cc4ccccc4[nH]c3=O)cc2)CCC1

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.91
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ OPRL1 P41146 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24852527 0.95 IL4I1 (1.00) IL4I1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL24852524 0.90 IL4I1 (0.85) IL4I1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL24851965 0.89 IL4I1 (0.83) IL4I1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL24852038 0.88 IL4I1 (0.81) IL4I1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL24853031 0.86 IL4I1 (0.78) IL4I1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL24853030 0.86 IL4I1 (0.78) IL4I1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL24852529 0.86 IL4I1 (0.78) IL4I1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL3717832 0.78 IL4I1 (0.66) IL4I1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24852647 0.75 IL4I1 (0.63) IL4I1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL24852649 0.75 IL4I1 (0.63) IL4I1ALDH1A1CYP3A4CYP2C9TSHR

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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