SCHEMBL7449636

SCHEMBL7449636

COc1ccc([N+](=O)[O-])cc1N(C)C(=O)CN(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1148479 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL7403138 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL14304939 0.86 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL18147563 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL18147565 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL11335712 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL15486247 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL11342103 0.82 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL30379309 0.78 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL19878308 0.78 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1POLBTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed