SCHEMBL24852501

SCHEMBL24852501

O=c1[nH]c2ccccc2cc1Cc1nnc(Cc2ccc(Br)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.56
▸ PTK2 Q05397 1/20 0.46
▸ EGFR P00533 2/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ KDM4E B2RXH2 4/20 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
SCHEMBL24851784 0.86 IL4I1 (0.60) IL4I1NPSR1TSHRKDM4EALDH1A1
SCHEMBL24851962 0.83 IL4I1 (0.51) IL4I1EGFRERBB2LMNAMAPT
SCHEMBL24852008 0.81 GUSB (0.51) IL4I1EGFRERBB2NPSR1KDM4E
SCHEMBL24852507 0.80 IL4I1 (0.51) IL4I1EGFRNPSR1MEN1TSHR
SCHEMBL24851920 0.79 IL4I1 (0.47) IL4I1EGFRERBB2NPSR1MEN1
SCHEMBL24852000 0.78 EGFR (0.55) IL4I1EGFRERBB2NPC1RAB9A
SCHEMBL24851911 0.78 IL4I1 (0.46) IL4I1EGFRERBB2TSHRKDM4E
SCHEMBL24851925 0.77 IL4I1 (0.46) IL4I1NPSR1MEN1LMNATSHR
SCHEMBL24851914 0.76 IDO1 (0.48) IL4I1EGFRTSHRKDM4EALDH1A1
SCHEMBL24852502 0.76 KDM4E (0.45) IL4I1EGFRMEN1TSHRKMT2A

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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