SCHEMBL9508158

SCHEMBL9508158

NC(=O)N(/N=C(/Cc1ccccc1)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.47
FFAR2 O15552 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CSNK1D P48730 1/20 0.37

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
SCHEMBL9018882 0.81 L3MBTL1 (0.47) GRIN2BCTSLMEN1ALDH1A1HPGD
SCHEMBL9018845 0.80 VNN1 (0.39) GRIN2BMRGPRX4MEN1KMT2ASMN1; SMN2
SCHEMBL9018901 0.77 PAX8 (0.42) GRIN2B
SCHEMBL9018830 0.77 CTSL (0.48) GRIN2BCTSLSMN1; SMN2
SCHEMBL9018853 0.76 BCL2A1 (0.39) MEN1ALDH1A1HPGDKMT2A
SCHEMBL8858565 0.75 TRPV1 (0.52) MEN1ALDH1A1KMT2A
SCHEMBL9508161 0.74 KDM4E (0.52) FFAR2KDM4EMEN1KMT2A
SCHEMBL16166139 0.70 VNN1 (0.41) MRGPRX4MEN1KMT2ASMN1; SMN2
SCHEMBL20550255 0.70 VNN1 (0.41) MRGPRX4MEN1KMT2ASMN1; SMN2
SCHEMBL6167827 0.68 GAA (0.55) GRIN2BCTSLCTSBKDM4EHTR3E

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
EP-0553284-A1 SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
WO-1992006076-A1 SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-16 WO disclosed