SCHEMBL9943392

SCHEMBL9943392

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
SOS1 Q07889 2/20 0.44
MC5R P33032 4/20 0.44
MC3R P41968 4/20 0.44
MC4R P32245 3/20 0.44
POLB P06746 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL9943325 0.92 HPGD (0.44) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943298 0.90 SOS1 (0.45) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943291 0.90 SOS1 (0.45) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943348 0.89 HPGD (0.46) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943264 0.84 GOT1 (0.50) MEN1KMT2ASMN1; SMN2MAPTMC5R
SCHEMBL9943349 0.83 MC5R (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7250606 0.79 MEN1 (0.45) HPGDHTTRECQLMEN1KMT2A
SCHEMBL7251407 0.79 HPGD (0.46) HPGDHTTRECQLMEN1KMT2A
SCHEMBL7253743 0.77 MC5R (0.44) HPGDHTTRECQLMEN1KMT2A
SCHEMBL17956951 0.77 NPSR1 (0.52) HTTMEN1KMT2AALDH1A1SMN1; SMN2

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
EP-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 EP claimed