SCHEMBL5659910

SCHEMBL5659910

O=C(COc1ncc(C(=O)O)cn1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
ALDH1A1 P00352 5/20 0.57
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
P4HTM Q9NXG6 1/20 0.54
KMT2A Q03164 9/20 0.53
MEN1 O00255 7/20 0.53
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL5658844 0.83 CXCR1 (0.53) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL5660811 0.80 GAA (0.60) MAPTALDH1A1SMN1; SMN2P4HTMKMT2A
SCHEMBL3836094 0.78 MAPT (0.76) MAPTALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL11316237 0.75 MAPT (0.76) MAPTALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL5660133 0.74 NOTUM (0.67) ALDH1A1POLBSMN1; SMN2
SCHEMBL855050 0.74 MAPT (0.66) MAPTALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL12167759 0.73 MAPT (0.73) MAPTALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL5418542 0.73 MAPT (0.73) MAPTALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL11318162 0.73 MAPT (0.73) MAPTALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL9018657 0.73 MEN1 (0.71) MAPTALDH1A1POLBSMN1; SMN2KMT2A

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
US-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed