SCHEMBL9224065

SCHEMBL9224065

CC(=O)Nc1ccc(Br)c(C)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.40
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL10479114 0.83 ALDH1A1 (0.46) RXFP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL10479125 0.80 ALDH1A1 (0.37) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL1601224 0.79 RXFP1 (0.58) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL10479142 0.78 ALDH1A1 (0.38) RXFP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL2322798 0.78 RXFP1 (0.56) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL13414547 0.75 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL31353606 0.75 CXCR1 (0.31) RXFP1ALDH1A1CXCR1CXCR2MEN1
SCHEMBL11932852 0.75 RXFP1 (0.53) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL9631166 0.73 ALDH1A1 (0.59) RXFP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9631026 0.72 ALDH1A1 (0.43) CA1CA2CA9ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384423-A Intermediates for antiinflammatory agents ROUSSEL-UCLAF (FR) 1995-01-24 US disclosed
US-5240960-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1993-08-31 US disclosed