SCHEMBL9943325

SCHEMBL9943325

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
SOS1 Q07889 2/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MC5R P33032 4/20 0.44
MC3R P41968 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
MC4R P32245 4/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL9943392 0.92 HPGD (0.47) HPGDHTTRECQLSOS1CDK4
SCHEMBL9943291 0.88 SOS1 (0.45) HPGDHTTRECQLSOS1CDK4
SCHEMBL9943298 0.88 SOS1 (0.45) HPGDHTTRECQLSOS1CDK4
SCHEMBL9943348 0.86 HPGD (0.46) HPGDHTTRECQLSOS1CDK4
SCHEMBL9943335 0.85 GOT1 (0.49) CDK4CCND1MEN1KMT2AMC5R
SCHEMBL9943313 0.84 MC5R (0.48) CDK4CCND1MEN1KMT2AMC5R
SCHEMBL7250606 0.78 MEN1 (0.45) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943264 0.76 GOT1 (0.50) CDK4CCND1MEN1KMT2AMC5R
SCHEMBL7251520 0.75 KMT2A (0.46) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943349 0.75 MC5R (0.49) CDK4CCND1MEN1KMT2AMC5R

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