SCHEMBL9045799

SCHEMBL9045799

COC(=O)OC1(NC(=O)Cc2c(Cl)cccc2Cl)CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD1 P21728 1/20 0.37
ATM Q13315 1/20 0.36
AKR1B1 P15121 1/20 0.36
THRB P10828 1/20 0.36
SSTR4 P31391 1/20 0.35
RECQL P46063 1/20 0.35
P2RX7 Q99572 1/20 0.35
HCN1 O60741 1/20 0.35

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 0.92 ALDH1A1 (0.57) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9043393 0.89 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2SIGMAR1ATM
SCHEMBL9044507 0.87 S1PR5 (0.46)
SCHEMBL9045718 0.82 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9044419 0.82 SMN1; SMN2 (0.48) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6765259 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2SIGMAR1DRD1
SCHEMBL9044774 0.81 KMT2A (0.44) ALDH1A1KMT2ASIGMAR1THRBRECQL
SCHEMBL9044861 0.80 ALOX15 (0.41) KMT2A
SCHEMBL9045730 0.78 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2SIGMAR1ATM
SCHEMBL6762566 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ASIGMAR1DRD1ATM

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