SCHEMBL31348935

SCHEMBL31348935

O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c1cccc(N(O)C(=O)c2ccc(F)cc2)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
RXFP1 Q9HBX9 5/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL31348955 0.93 RXFP1 (0.38) CA12CA9KDM4ERXFP1KCNJ11
SCHEMBL31348985 0.91 RXFP1 (0.41) RXFP1KCNJ11PTGESLRRK2
SCHEMBL1766510 0.90 RXFP1 (0.35) CA12CA9KDM4ETUBB4ATUBB
SCHEMBL29427441 0.90 RXFP1 (0.35) CA12CA9KDM4ETUBB4ATUBB
SCHEMBL31348975 0.89 SMN1; SMN2 (0.33) CA12CA9KDM4ETUBB4ATUBB
SCHEMBL31348968 0.89 KDM4E (0.35) KDM4ERXFP1KMT2APTGES
SCHEMBL31253336 0.89 PTGES (0.33) PTGES
SCHEMBL29161175 0.89 PTGES (0.33) PTGES
SCHEMBL20846767 0.88 CTSS (0.36) CA12CA9KDM4ECTSSKCNK3
SCHEMBL31348867 0.88 KDM4E (0.31) KDM4EKMT2AMEN1

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-119059936-A Meta-aminobenzoic acid bisamide compound 湖南化工研究院有限公司 2024-12-03 CN claimed