SCHEMBL24565772

SCHEMBL24565772

Nc1cc(C2CC2)nn(CCOCc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.37
▸ TEAD3 Q99594 1/20 0.37
▸ KCNJ6 P48051 5/20 0.36
▸ KCNJ5 P48544 5/20 0.36
▸ KCNJ3 P48549 5/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 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
SCHEMBL24565773 0.81 NAAA (0.37) LTA4HTEAD3KCNJ6KCNJ5KCNJ3
SCHEMBL24565775 0.78 KCNJ6 (0.41) TEAD3KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL24566834 0.75 LTA4H (0.38) LTA4HTEAD3ADORA2AADORA1TAAR1
SCHEMBL20413736 0.67 POLB (0.46) LTA4HSMN1; SMN2
SCHEMBL24007635 0.66 MPO (0.36) PKMNPC1LMNATP53RAB9A
SCHEMBL31328912 0.64 TEAD3 (0.41) LTA4HTEAD3PKMHDAC3HDAC4
SCHEMBL25035706 0.63 PKM (0.56) LTA4HTEAD3PKMNPC1LMNA
SCHEMBL21962128 0.63 HDAC3 (0.54) LTA4HTEAD3TAAR1HDAC3HDAC4
SCHEMBL20660877 0.63 TEAD3 (0.43) LTA4HTEAD3PKMHDAC3HDAC4
SCHEMBL1231223 0.63 TSHR (0.40) LTA4HMAPK14TAAR1PKMMAOA

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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