SCHEMBL6584976

SCHEMBL6584976

CC(=O)NC1Cc2cc(N)c([N+](=O)[O-])cc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 9/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL2246174 0.77 MAPT (0.46) MAPTMEN1KMT2APOLBMCL1
SCHEMBL8008337 0.75 CA1 (0.59) CA1CA2CA12CA7CA14
SCHEMBL3803914 0.75 CA1 (0.59) CA1CA2CA12CA7CA14
SCHEMBL13006620 0.74 MAPT (0.41) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL11042137 0.73 MTNR1A (0.56) CA1CA2MEN1KMT2APOLB
SCHEMBL2248493 0.73 MAPT (0.42) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL12355628 0.73 MAPT (0.42) MAPTMEN1KMT2APOLBMCL1
SCHEMBL8668636 0.71 CA1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL6583483 0.71 CA1 (0.64) CA1CA2CA12CA7CA14
SCHEMBL8008813 0.71 CA1 (0.64) CA1CA2CA12CA7CA14

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-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP disclosed
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 US disclosed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP disclosed