SCHEMBL24852505

SCHEMBL24852505

O=c1[nH]c2ccccc2cc1Cc1nnc(-c2c[nH]c(C3CC3)n2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.41
▸ GUSB P08236 3/20 0.40
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL24852000 0.78 EGFR (0.55) IL4I1GUSBALDH1A1TSHREGFR
SCHEMBL24852499 0.76 IL4I1 (0.44) IL4I1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL24851925 0.76 IL4I1 (0.46) IL4I1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL24851920 0.76 IL4I1 (0.47) IL4I1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL24852003 0.75 ALDH1A1 (0.48) IL4I1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL24852005 0.74 GUSB (0.47) IL4I1GUSBTSHREGFRNPSR1
SCHEMBL24851999 0.74 GUSB (0.56) IL4I1GUSBALDH1A1KDM4EEGFR
SCHEMBL24851962 0.73 IL4I1 (0.51) IL4I1ALDH1A1KDM4ETSHREGFR
SCHEMBL24852507 0.73 IL4I1 (0.51) IL4I1ALDH1A1KDM4ETSHREGFR
SCHEMBL24852008 0.71 GUSB (0.51) IL4I1GUSBALDH1A1KDM4EEGFR

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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