SCHEMBL25974398

SCHEMBL25974398

N#Cc1cc(-c2cccnc2Nc2ccc(S(F)(F)(F)(F)F)cc2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PIP4K2A P48426 1/20 0.40
▸ PIP4K2C Q8TBX8 1/20 0.40
▸ CYP11B2 P19099 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL25377612 0.87 HPGD (0.40) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25974054 0.85 TRPV1 (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25974317 0.84 PIP4K2A (0.47) PIP4K2APIP4K2CGRM4PIK3CA
SCHEMBL29888286 0.78 HPGD (0.62) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23388827 0.78 HPGD (0.62) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25974314 0.77 PIP4K2A (0.49) PIP4K2APIP4K2CGRM4PIK3CA
SCHEMBL25377065 0.76 PIP4K2A (0.48) PIP4K2APIP4K2CAURKAGRM4PIK3CA
SCHEMBL25951972 0.76 NPC1 (0.48) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25341914 0.74 AKR1C3 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2PIP4K2A
SCHEMBL25951966 0.73 QPCT (0.47) PIP4K2APIP4K2C

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-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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