SCHEMBL11278787

SCHEMBL11278787

Cc1ccc(N2CCN(c3nc(N)c4c(n3)CCCC4)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
CYBB P04839 1/20 0.46
NOX5 Q96PH1 1/20 0.46
NOX3 Q9HBY0 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
DHFR P00374 2/20 0.46
ALDH1A1 P00352 3/20 0.45
ACHE P22303 7/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
C1S P09871 1/20 0.43
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MEN1 O00255 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
SCHEMBL11287133 0.86 ALDH1A1 (0.50) SMN1; SMN2HSD17B10KDM4EHPGDDHFR
SCHEMBL11290070 0.86 HSD17B10 (0.64) SMN1; SMN2HSD17B10KDM4EHPGDDHFR
SCHEMBL11388114 0.83 HTR2C (0.61) SMN1; SMN2HSD17B10KDM4EHPGDCYBB
SCHEMBL11282888 0.82 PKM (0.50) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL11387692 0.80 HTR2C (0.58) SMN1; SMN2HSD17B10KDM4EHPGDCYBB
SCHEMBL11289296 0.80 HSD17B10 (0.45) SMN1; SMN2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL11283262 0.80 KMT2A (0.50) KDM4EHPGDALDH1A1ACHEKMT2A
SCHEMBL6665691 0.76 DHFR (0.51) KDM4ECYBBNOX5NOX3NOX4
SCHEMBL11281948 0.74 LMNA (0.44) SMN1; SMN2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL11426226 0.74 GBA1 (0.45) SMN1; SMN2KDM4EHPGDALDH1A1ACHE

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
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