SCHEMBL11033155

SCHEMBL11033155

CCCC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
AKR1C3 P42330 2/20 0.39
STS P08842 1/20 0.39
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
RAB9A P51151 1/20 0.39
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
ENPP2 Q13822 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL11033152 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL11032658 0.91 MEN1 (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL11032656 0.91 MEN1 (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL8535057 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL8537248 0.86 MEN1 (0.39) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL9079609 0.85 MEN1 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL10973313 0.85 MEN1 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9079636 0.84 SMN1; SMN2 (0.44) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL7106918 0.83 ENPP1 (0.38) ALDH1A1KDM4EMEN1KMT2APSEN1
SCHEMBL7104414 0.82 ENPP1 (0.41) ALDH1A1POLBMEN1KMT2APSEN1

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-0026040-B1 SUBSTITUTED BENZOPHENONE HYDRAZONES, PESTICIDAL COMPOSITIONS CONTAINING THEM AND METHOD OF COMBATING PESTS FBC LIMITED (GB) 1985-03-13 EP claimed