SCHEMBL8573370

SCHEMBL8573370

CCC1Cc2c([nH]c3ccc(NC(=O)c4ccccc4)cc23)C(N)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
MAOA P21397 12/20 0.43
MAOB P27338 10/20 0.43
PRMT5 O14744 1/20 0.43
EGFR P00533 1/20 0.43
HTR1F P30939 1/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 11/20 0.41
RCOR1 Q9UKL0 3/20 0.41
KDM1B Q8NB78 1/20 0.41
ULK1 O75385 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PSMB8 P28062 1/20 0.40

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
SCHEMBL8573335 0.91 HTR1F (0.44) BRD4JAK2JAK1PRMT5EGFR
SCHEMBL8582744 0.91 KCNK3 (0.44) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL8580172 0.90 HTR1F (0.43) HTR1FSTK17BSTK17AMAPTNPC1
SCHEMBL8567836 0.90 PRMT5 (0.48) MAOBPRMT5EGFRHTR1FKMT2A
SCHEMBL8571431 0.89 BRD4 (0.47) BRD4KMT2AMEN1MAPTNPC1
SCHEMBL8573321 0.88 MEN1 (0.47) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL8603866 0.86 KMT2A (0.45) JAK2JAK1STK17BSTK17AKMT2A
SCHEMBL8573391 0.85 MAPT (0.41) BRD4MAOAMAOBKMT2AMEN1
SCHEMBL8483964 0.85 SMN1; SMN2 (0.55) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL8568716 0.84 ITK (0.39) BRD4JAK1HTR1FALDH1A1

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
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed