SCHEMBL19291300

SCHEMBL19291300

Cc1ccccc1NCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.70
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 4/20 0.59
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.56

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
SCHEMBL2688335 0.83 HCAR3 (1.00) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL1066375 0.81 HCAR3 (0.77) HCAR3KMT2AMAPTALDH1A1PKM
SCHEMBL6044176 0.81 HCAR3 (1.00) HCAR3KMT2APOLBMAPTALDH1A1
SCHEMBL27077338 0.80 HCAR3 (0.75) HCAR3KMT2AMAPTALDH1A1PKM
SCHEMBL31555875 0.80 HCAR3 (0.75) HCAR3KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL24032 0.80 HCAR3 (1.00) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL10502410 0.80 HCAR3 (0.74) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL6044024 0.80 HCAR3 (1.00) HCAR3MAPTALDH1A1SMN1; SMN2PKM
SCHEMBL6043949 0.80 HCAR3 (1.00) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL992446 0.79 HCAR3 (0.68) HCAR3KMT2AMEN1MAPTPKM

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-2734517-B1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-08-30 EP disclosed