SCHEMBL6628898

SCHEMBL6628898

Cc1[nH]c2ccccc2c1-c1cnc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.55
IDO1 P14902 6/20 0.50
TDO2 P48775 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
AHR P35869 1/20 0.46
CYP3A4 P08684 1/20 0.44
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
CSF1R P07333 2/20 0.43
EIF2AK2 P19525 2/20 0.42

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
SCHEMBL6584506 0.82 CSF1R (0.51) IMPDH2IDO1TDO2LMNAMEN1
SCHEMBL9280668 0.75 IMPDH2 (0.51) IMPDH2LMNAMEN1KMT2AKDM4E
SCHEMBL13516891 0.73 IDO1 (0.52) IDO1TDO2MEN1KMT2AKDM4E
SCHEMBL31060312 0.71 IMPDH2 (1.00) IMPDH2LMNAMEN1KMT2AKDM4E
SCHEMBL7812203 0.71 IMPDH2 (0.69) IMPDH2IDO1TDO2LMNAMEN1
SCHEMBL17383846 0.70 IMPDH2 (0.73) IMPDH2LMNAMEN1KMT2AKDM4E
SCHEMBL2013427 0.69 IMPDH2 (0.62) IMPDH2TDO2LMNAMEN1KMT2A
SCHEMBL26259980 0.69 IDO1 (0.64) IDO1TDO2CYP2C9CYP3A4
SCHEMBL7057607 0.69 IMPDH2 (0.53) IMPDH2IDO1LMNAMEN1KMT2A
SCHEMBL18117823 0.69 GSK3B (0.50) IDO1TDO2LMNAMEN1KMT2A

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-1420015-A1 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2004-05-19 EP disclosed