SCHEMBL9541330

SCHEMBL9541330

c1ccc2c(c1)CCC2Nc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PDPK1 O15530 1/20 0.51
FADS1 O60427 1/20 0.51
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
GBA1 P04062 1/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
BCHE P06276 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ACHE P22303 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL16162169 0.78 PDPK1 (0.54) KDM4EGAAPDPK1FADS1CA1
SCHEMBL878502 0.76 ACHE (0.45) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL15131075 0.75 MAOB (0.51) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL9541314 0.73 FADS1 (0.69) PDPK1FADS1CA1CA2GBA1
SCHEMBL31300377 0.73 FADS1 (0.69) PDPK1FADS1CA1CA2GBA1
SCHEMBL31377664 0.73 CA1 (0.44) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL783528 0.73 FADS1 (0.46) KDM4EALDH1A1SMN1; SMN2PDPK1FADS1
SCHEMBL783529 0.73 FADS1 (0.46) KDM4EALDH1A1SMN1; SMN2PDPK1FADS1
SCHEMBL15131137 0.73 PDPK1 (0.49) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL27729927 0.73 KDM4E (0.44) KDM4EALDH1A1GAAHPGDSMN1; SMN2

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
WO-1993011114-A1 AMINE ANTIDEGRADANTS FOR UNSATURATED POLYMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-06-10 WO claimed
WO-1993011114-A1 AMINE ANTIDEGRADANTS FOR UNSATURATED POLYMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-06-10 WO disclosed