SCHEMBL12499400

SCHEMBL12499400

Cc1c(C(=O)O)c(Cc2ccc(Cl)cc2)nn1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
RAB9A P51151 3/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL12499265 0.86 SMN1; SMN2 (0.40) LMNASMN1; SMN2POLB
SCHEMBL12499862 0.85 PLA2G2A (0.45) KDM4EMAPTKMT2ALMNASMN1; SMN2
SCHEMBL12499672 0.85 RNASEH1 (0.43) MAPTKMT2ALMNAMEN1HTT
SCHEMBL12499272 0.84 HCAR2 (0.45) MAPTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL12498729 0.82 SRD5A2 (0.46) LMNALDHALDHBPOLBNPC1
SCHEMBL12499378 0.81 MAPT (0.40) VDRKDM4EMAPTKMT2ALMNA
SCHEMBL12499324 0.81 MAPT (0.40) VDRKDM4EMAPTKMT2ALMNA
SCHEMBL12499850 0.79 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL23142706 0.75 CYP1A2 (0.51) KDM4EMAPTKMT2ALMNASMN1; SMN2
SCHEMBL3718927 0.73 ALDH1A1 (0.47) KDM4EMAPTKMT2ALMNASMN1; SMN2

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
WO-2012103071-A2 COMPOUNDS AND COMPOSITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-02 WO disclosed