SCHEMBL9045718

SCHEMBL9045718

CN1CCC(NC(=O)Cc2c(F)cccc2Cl)(OC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL9213271 0.91 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL9045960 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL9045709 0.88 S1PR5 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL6771746 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL9045799 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6767239 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL9045730 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL9044419 0.81 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL9044742 0.80 S1PR5 (0.46)
SCHEMBL6771072 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1

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