SCHEMBL9943348

SCHEMBL9943348

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
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 0.45
MC5R P33032 5/20 0.44
MC3R P41968 4/20 0.44
MC4R P32245 4/20 0.44
POLB P06746 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43

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
SCHEMBL9943291 0.92 SOS1 (0.45) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943298 0.92 SOS1 (0.45) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943392 0.89 HPGD (0.47) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943325 0.86 HPGD (0.44) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943282 0.84 MC5R (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7256847 0.84 MC4R (0.43) HPGDHTTRECQLMEN1KMT2A
SCHEMBL9943336 0.83 MC5R (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL9943307 0.82 MC5R (0.48) SMN1; SMN2MC5RMC3RMC4RCDK4
SCHEMBL2788385 0.81 CDK4 (0.44) MAPTMC5RMC3RMC4RHDAC3
SCHEMBL7251520 0.80 KMT2A (0.46) HPGDHTTRECQLMEN1KMT2A

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