SCHEMBL1720845

SCHEMBL1720845

CCOC(=O)c1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2cc(-c3ccc(F)cc3)sc2n1.O=C(COc1ccc(Cl)cc1)N1CCN(c2nc(-c3ccccc3)nc3sc(-c4ccc(F)cc4)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
ENPP2 Q13822 3/20 0.43
ALDH1A1 P00352 6/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPSR1 Q6W5P4 5/20 0.41
HTT P42858 2/20 0.41
P2RY12 Q9H244 1/20 0.41
PI4KB Q9UBF8 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 1/20 0.41
CNR1 P21554 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 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
SCHEMBL655984 0.94 PI4KB (0.44) CNR2ENPP2ALDH1A1TSHRMAPT
SCHEMBL654929 0.92 ENPP2 (0.51) CNR2ENPP2ALDH1A1TSHRKDM4E
SCHEMBL653634 0.86 ENPP2 (0.50) CNR2ENPP2ALDH1A1TSHRMAPT
SCHEMBL656739 0.84 PI4KB (0.49) CNR2ENPP2ALDH1A1TSHRMAPT
SCHEMBL655120 0.83 CNR2 (0.54) CNR2ENPP2ALDH1A1TSHRKDM4E
SCHEMBL18035919 0.83 PI4KB (0.43) CNR2ENPP2ALDH1A1TSHRMAPT
SCHEMBL655388 0.83 PI4KB (0.43) CNR2ENPP2ALDH1A1TSHRMAPT
SCHEMBL653839 0.81 PI4KB (0.61) CNR2ENPP2ALDH1A1TSHRMAPT
SCHEMBL653772 0.80 PI4KB (0.42) CNR2ENPP2ALDH1A1TSHRMAPT
SCHEMBL18035920 0.80 ENPP2 (0.47) CNR2ENPP2ALDH1A1TSHRMAPT

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
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed