SCHEMBL25374628

SCHEMBL25374628

COc1ncc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ KDR P35968 1/20 0.36

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
SCHEMBL25377456 0.87 MAPT (0.40) MAPTLMNAHPGDHTTPDE10A
SCHEMBL25379235 0.85 CYP1A1 (0.37) RAB9AMAPTNPSR1LMNAHPGD
SCHEMBL25379789 0.83 KDM4E (0.44) —
SCHEMBL25376091 0.83 HTT (0.42) NPBWR1RAB9AMAPTLMNAHPGD
SCHEMBL25377856 0.83 HAO1 (0.37) MEN1KMT2ANPSR1PDE10A
SCHEMBL25375008 0.82 TRPV1 (0.34) MAPTLMNAHPGDHTT
SCHEMBL30482594 0.82 TRPV1 (0.34) MAPTLMNAHPGDHTT
SCHEMBL25377412 0.82 PDE10A (0.54) AHRMAPTPDE10A
SCHEMBL25379048 0.80 LMNA (0.35) NPBWR1LMNAHPGDHTTKDR
SCHEMBL25379560 0.80 TRPV1 (0.36) MAPTLMNAHPGDHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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