SCHEMBL25377909

SCHEMBL25377909

Nc1ncc(-c2nccnc2Nc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.46
▸ EGFR P00533 1/20 0.45
▸ EPHX2 P34913 10/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDO2 P48775 1/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL30482518 1.00 TRPV1 (0.46) TRPV1EGFREPHX2KDM4EALDH1A1
SCHEMBL25377441 0.86 EPHX2 (0.47) TRPV1EPHX2
SCHEMBL30482543 0.86 EPHX2 (0.47) TRPV1EPHX2
SCHEMBL30519339 0.86 KIF11 (0.51) TRPV1EGFREPHX2KCNH2SCN9A
SCHEMBL25340913 0.86 KIF11 (0.51) TRPV1EGFREPHX2KCNH2SCN9A
SCHEMBL25378159 0.83 TRPV1 (0.43) TRPV1EGFREPHX2
SCHEMBL25377798 0.83 TRPV1 (0.46) TRPV1EPHX2
SCHEMBL30482575 0.81 KCNQ3 (0.47) TRPV1EPHX2
SCHEMBL25378382 0.81 KCNQ3 (0.47) TRPV1EPHX2
SCHEMBL25378719 0.81 TRPV1 (0.42) TRPV1EPHX2

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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