SCHEMBL9756669

SCHEMBL9756669

O=C(Oc1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
HRH1 P35367 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
CETP P11597 5/20 0.44
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9671054 0.88 ALDH1A1 (0.46) HSD17B10HRH1USP2SMN1; SMN2TDP1
SCHEMBL9756680 0.81 MEN1 (0.55) HSD17B10SMN1; SMN2GBA1MEN1MAPT
SCHEMBL9669903 0.77 HRH1 (0.53) HRH1USP2SMN1; SMN2TDP1PDE4A
SCHEMBL9756683 0.72 CASP1 (0.43) USP2SMN1; SMN2CASP1CASP4CASP5
SCHEMBL9756677 0.70 KMT2A (0.47) SMN1; SMN2GBA1MEN1CYP2C19KMT2A
SCHEMBL9756685 0.69 SMN1; SMN2 (0.48) SMN1; SMN2TDP1GBA1ALDH1A1MEN1
SCHEMBL9756638 0.69 GBA1 (0.49) GBA1MEN1KMT2A
SCHEMBL8542091 0.68 HRH1 (1.00) HRH1USP2SMN1; SMN2TDP1PDE4A
SCHEMBL11215614 0.68 HTR3E (0.58) HRH1USP2SMN1; SMN2TDP1CETP
SCHEMBL778188 0.67 SMN1; SMN2 (1.00) HRH1USP2SMN1; SMN2TDP1PDE4A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991011453-A2 5-OXYGENATED-2,4,6-TRIAMINOPYRIMIDINES THE UPJOHN COMPANY (US) 1991-08-08 WO claimed