SCHEMBL7142246

SCHEMBL7142246

CC(=O)N(C)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
ACP1 P24666 1/20 0.40
MEN1 O00255 3/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESPL1 Q14674 1/20 0.35
CYP19A1 P11511 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
SCHEMBL7836852 0.88 ATM (0.49) ATMKMT2AHTTMEN1HPGD
SCHEMBL249094 0.81 MAPT (0.44) ATMKMT2AHTTACP1MEN1
SCHEMBL7136667 0.80 KMT2A (0.48) ATMKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL7139019 0.80 MEN1 (0.43) ATMKMT2AHTTMEN1HPGD
SCHEMBL7836847 0.77 ATM (0.38) ATMKMT2AHTTACP1MEN1
SCHEMBL2017690 0.75 ALDH1A1 (0.56) ATMKMT2AHTTMEN1NPSR1
SCHEMBL23702599 0.74 ACP1 (0.40) ATMKMT2AHTTACP1MEN1
SCHEMBL2103568 0.74 MAPK1 (0.55) ATMKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL362241 0.73 ALDH1A1 (0.56) ATMKMT2AHTTACP1MEN1
SCHEMBL7143432 0.73 FSCN1 (0.36) LMNASMN1; SMN2ALDH1A1

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
EP-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 EP disclosed
US-5990105-A POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE HOFFMANN-LA ROCHE INC. (US) 1999-11-23 US disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP disclosed