SCHEMBL4757117

SCHEMBL4757117

Cc1cc(CN2CCN(C(=O)O)CC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45
KDR P35968 1/20 0.44
FAAH O00519 2/20 0.44
TBK1 Q9UHD2 5/20 0.44
TSHR P16473 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CCNT1 O60563 1/20 0.43
FLT3 P36888 1/20 0.43
CDK9 P50750 1/20 0.43
IKBKE Q14164 1/20 0.43
RPS6KA6 Q9UK32 1/20 0.43

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
SCHEMBL15450908 0.89 HRH3 (0.57) ALDH1A1HTTKDRTBK1HRH3
SCHEMBL18986049 0.83 GABRP (0.53) ALDH1A1KDM4EKDRTBK1TSHR
SCHEMBL19004116 0.82 TBK1 (0.61) TBK1IKBKE
SCHEMBL13319011 0.81 L3MBTL1 (0.53) ALDH1A1KDM4EHRH3SMN1; SMN2
SCHEMBL21158864 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1TSHRSMN1; SMN2
SCHEMBL8038019 0.80 MC4R (0.51) ALDH1A1KDM4ETBK1IKBKE
SCHEMBL4553879 0.80 CXCR4 (0.50) ALDH1A1POLBTDP1HTTHRH3
SCHEMBL10856726 0.79 KDM4E (0.65) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL15264475 0.78 FAAH (0.52) ALDH1A1KDM4EFAAHTBK1MEN1
SCHEMBL5316937 0.78 FAAH (0.67) ALDH1A1KDM4EHTTFAAHHRH3

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-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed