SCHEMBL11903544

SCHEMBL11903544

NCc1ccc(CN2CCN(C(=O)CNC(=O)C(=O)CO)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.50
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
FAAH O00519 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1668474 0.84 TPSAB1 (0.52) HRH3LMNAMEN1KMT2AKDM4E
SCHEMBL11903567 0.81 POLB (0.43) CA2CA12CA1CA9RAB9A
SCHEMBL1668863 0.72 TPSAB1 (0.51) HRH3MEN1KMT2AKDM4E
SCHEMBL3917814 0.71 HRH3 (0.49) CA2CA12CA1CA9ALDH1A1
SCHEMBL24564964 0.71 PRMT6 (0.69) CA2ALDH1A1POLBHRH3LMNA
SCHEMBL5065800 0.69 CA12 (0.80) CA2CA12CA1CA9ALDH1A1
SCHEMBL12466576 0.69 KDM4E (0.65) CA2CA12CA1CA9ALDH1A1
SCHEMBL3921972 0.69 GAA (0.52) ALDH1A1HTTSMN1; SMN2POLBATM
SCHEMBL3923607 0.68 CA12 (0.60) CA2CA12CA1CA9ALDH1A1
SCHEMBL10502128 0.68 POLB (0.70) CA2CA12CA1CA9ALDH1A1

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-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed