SCHEMBL24566123

SCHEMBL24566123

COCC(=O)c1cc(Br)cnc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ OPRK1 P41145 11/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL18050754 0.82 HSP90AB1 (0.36) DGAT2RAB9AOPRK1KDM4EMAPT
SCHEMBL31356584 0.80 GSK3B (0.37) DGAT2OPRK1KDM4EKMT2ACNR2
SCHEMBL15990933 0.80 DGAT2 (0.34) DGAT2OPRK1KDM4EKMT2ACNR2
SCHEMBL3716121 0.79 OPRK1 (0.49) OPRK1
Bromide SCHEMBL31356592 0.79 GSK3B (0.36) DGAT2KDM4ECNR2
SCHEMBL21626795 0.76 DGAT2 (0.36) DGAT2NPC1RAB9AMAPT
SCHEMBL31356591 0.76 OPRK1 (0.42) DGAT2OPRK1KDM4EPTGDR2
SCHEMBL9648890 0.76 OPRK1 (0.42) DGAT2OPRK1KDM4EPTGDR2
SCHEMBL20472389 0.75 OPRK1 (0.48) NPC1RAB9AOPRK1KDM4EMAPT
SCHEMBL1516793 0.74 NAPRT (0.46) OPRK1KDM4E

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-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed
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