SCHEMBL23911985

SCHEMBL23911985

NN1CCC(c2cccc(OC(F)(F)F)c2)C(C(=O)Nc2ccccc2F)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC5A1 P13866 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CFD P00746 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ KAT6A Q92794 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ KDM1A O60341 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
SCHEMBL18815173 0.90 ROCK2 (0.40) ROCK2TSHRSMN1; SMN2SLC5A1LMNA
SCHEMBL20043922 0.84 ROCK2 (0.39) ROCK2SLC5A1CFDNOTUMMGLL
SCHEMBL18815794 0.83 ROCK2 (0.43) ROCK2SLC5A1LMNAALDH1A1NPSR1
SCHEMBL20043920 0.81 KMT2A (0.42) ROCK2TSHRCFDTDP1MEN1
SCHEMBL23642604 0.81 TRPM8 (0.48) TSHRSMN1; SMN2LMNAALDH1A1EPHX2
SCHEMBL20043921 0.80 ROCK2 (0.39) ROCK2SMN1; SMN2SLC5A1ALDH1A1CFD
SCHEMBL20043923 0.80 HSD17B10 (0.39) ROCK2SMN1; SMN2LMNAALDH1A1CFD
SCHEMBL26163607 0.79 TDP1 (0.49) TSHRSMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL23642606 0.79 TP53 (0.46) TSHRSMN1; SMN2LMNAALDH1A1EPHX2
SCHEMBL18815175 0.79 NPSR1 (0.41) ROCK2TSHRSMN1; SMN2ALDH1A1CFD

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
EP-3601263-B1 NOVEL PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-10-13 — — EP disclosed
Send feedback