SCHEMBL11290550

SCHEMBL11290550

Nc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
TRPV1 Q8NER1 3/20 0.51
CA12 O43570 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
FLT3 P36888 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KIT P10721 1/20 0.46
MAPT P10636 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
FAAH O00519 1/20 0.45
CA1 P00915 1/20 0.45
STS P08842 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL11278754 0.89 GAA (0.56) LMNAGAAMAPK1CA12CA2
SCHEMBL11287133 0.79 ALDH1A1 (0.50) GAAKDM4ESMN1; SMN2MAPT
SCHEMBL11283123 0.78 KMT2A (0.62) LMNAMAPK1KDM4EMEN1KMT2A
SCHEMBL31046326 0.76 LMNA (0.68) LMNAGAAMAPK1TRPV1CA12
SCHEMBL11426226 0.75 GBA1 (0.45) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL11282866 0.74 GBA1 (0.55) GAAKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL11281560 0.73 GBA1 (0.41) MAPK1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL27979652 0.73 CA12 (0.71) LMNAGAAMAPK1TRPV1CA12
SCHEMBL11277846 0.71 GPR183 (0.50) GAAMAPT
SCHEMBL11277852 0.71 GPR183 (0.50) GAAMAPT

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