SCHEMBL16612896

SCHEMBL16612896

N[C@H]1Cc2ccccc2N(OCc2ccccn2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 7/20 0.47
KYAT1 Q16773 2/20 0.47
KYAT3 Q6YP21 2/20 0.47
GOT1 P17174 1/20 0.47
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
XIAP P98170 1/20 0.36
POLB P06746 1/20 0.36
PYGL P06737 3/20 0.36
SIRT1 Q96EB6 1/20 0.36
LMNA P02545 1/20 0.35
PARP10 Q53GL7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16613090 0.81 AADAT (0.52) AADATKYAT1KYAT3GOT1ALDH1A1
SCHEMBL7419579 0.74 AADAT (0.51) AADATKYAT1KYAT3GOT1SMN1; SMN2
Hydrochloric Acid SCHEMBL1239293 0.74 AADAT (0.51) AADATKYAT1KYAT3GOT1
SCHEMBL16613079 0.73 AADAT (0.44) AADATKYAT1KYAT3GOT1ALDH1A1
SCHEMBL14170038 0.73 AADAT (0.59) AADATKYAT1KYAT3GOT1
SCHEMBL4801687 0.73 AADAT (0.59) AADATKYAT1KYAT3GOT1
SCHEMBL9198224 0.72 AADAT (0.49) AADATKYAT1KYAT3GOT1
Hydrochloric Acid SCHEMBL7416859 0.72 AADAT (0.58) AADATKYAT1KYAT3GOT1
SCHEMBL7422259 0.71 AADAT (0.47) AADATKYAT1KYAT3GOT1KDM4E
SCHEMBL9200143 0.71 AADAT (0.44) AADATKYAT1KYAT3GOT1ALDH1A1

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-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed