SCHEMBL9333312

SCHEMBL9333312

CC(Br)C(=O)Nc1sc2c(c1Cc1ccccc1Cl)CCN(C(=O)C1CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.38
GRM5 P41594 4/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRKCI P41743 1/20 0.36
PDE1B Q01064 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8315189 0.83 ALDH1A1 (0.44) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL8310230 0.75 ALDH1A1 (0.44) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL9089232 0.74 KDM4E (0.47) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL8311271 0.74 KMT2A (0.48) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL8315668 0.68 ALDH1A1 (0.46) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL8316470 0.67 NPSR1 (0.40) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL8315473 0.65 ALDH1A1 (0.48) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL8316035 0.63 MEN1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8315198 0.60 TBXAS1 (0.40) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL23620086 0.59 P2RX4 (0.52)

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
US-5304553-A Antiallergens; platelet activating factor inhibitor EISAI CO., LTD. (JP) 1994-04-19 US disclosed