SCHEMBL29099962

SCHEMBL29099962

FC(F)C(F)Oc1ncccc1Br

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
PDE10A Q9Y233 6/20 0.35
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL21225855 0.85 TRPV4 (0.53) TRPV4PDE10ALMNASMN1; SMN2ALDH1A1
SCHEMBL31348088 0.85 TRPV4 (0.53) TRPV4PDE10ALMNASMN1; SMN2ALDH1A1
SCHEMBL29014781 0.79 TRPV4 (0.40) TRPV4LMNA
SCHEMBL28059120 0.78 NOS3 (0.39) TRPV4SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1845046 0.77 LRRK2 (0.40) TRPV4PDE10AALDH1A1
SCHEMBL5582741 0.74 S1PR4 (0.40) TRPV4LMNASMN1; SMN2NPC1RAB9A
SCHEMBL29057683 0.74 TRPV4 (0.36) TRPV4
SCHEMBL29118011 0.74 TRIM24 (0.44) TRPV4LMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL3878940 0.73 PDE10A (0.43) PDE10ALMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL27931903 0.73 NAPRT (0.50) TRPV4PDE10ALMNASMN1; SMN2ALDH1A1

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
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed