SCHEMBL11287133

SCHEMBL11287133

Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.46
DHFR P00374 1/20 0.46
CETP P11597 5/20 0.45
TP53 P04637 1/20 0.43
ACHE P22303 5/20 0.42
BCHE P06276 4/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CHRM1 P11229 1/20 0.42
EPHX2 P34913 1/20 0.42
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 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
SCHEMBL11278787 0.86 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HSD17B10MAPTDHFR
SCHEMBL11290070 0.86 HSD17B10 (0.64) ALDH1A1GAASMN1; SMN2HSD17B10MAPT
SCHEMBL11399909 0.82 HTR2C (0.60) ALDH1A1GAAGFERSMN1; SMN2HSD17B10
SCHEMBL11290550 0.79 LMNA (0.57) GAASMN1; SMN2MAPTKDM4E
SCHEMBL11283262 0.77 KMT2A (0.50) ALDH1A1ACHEKDM4EHPGDHTR3A
SCHEMBL2922890 0.76 ALDH1A1 (0.48) ALDH1A1GAAGFERSMN1; SMN2MAPT
SCHEMBL11278102 0.75 LMNA (0.56) ALDH1A1GAASMN1; SMN2HSD17B10MAPT
SCHEMBL11289296 0.75 HSD17B10 (0.45) ALDH1A1SMN1; SMN2HSD17B10MAPTACHE
SCHEMBL11280239 0.74 HTR2C (0.64) ALDH1A1SMN1; SMN2HSD17B10MAPTACHE
SCHEMBL11284725 0.74 NPC1 (0.58) ALDH1A1SMN1; SMN2HSD17B10MAPTDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US claimed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed