SCHEMBL9045960

SCHEMBL9045960

CC(=O)N1CCC(NC(=O)Cc2c(F)cccc2Cl)(OC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9045730 0.93 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL9044419 0.91 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL9045718 0.90 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL6766371 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL9045709 0.84 S1PR5 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL9043393 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL6764637 0.82 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL9213271 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL6762138 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL7160837 0.80 KMT2A (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E

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-0706527-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-04-17 EP disclosed
WO-1995001358-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-01-12 WO disclosed