SCHEMBL22601969

SCHEMBL22601969

CCOC(CNC(=O)c1cnc2ccc(Br)cc2c1Cl)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.47
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
AURKB Q96GD4 2/20 0.41
AURKA O14965 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL22589603 0.93 TSHR (0.49) RXFP1GAANPSR1TSHRHTT
SCHEMBL28707693 0.89 TSHR (0.46) RXFP1GAANPSR1TSHRHTT
SCHEMBL22589537 0.82 KMT2A (0.45) RXFP1GAANPSR1HTTMAPK1
SCHEMBL29363285 0.82 KMT2A (0.45) RXFP1GAANPSR1HTTMAPK1
SCHEMBL29365314 0.76 TP53 (0.44) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL22589546 0.76 TP53 (0.44) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL403348 0.75 TSHR (0.66) RXFP1GAANPSR1TSHRHTT
SCHEMBL401916 0.75 MAPK1 (0.65) RXFP1GAANPSR1TSHRHTT
SCHEMBL6314167 0.73 HPGD (0.47) RXFP1NPSR1TSHRMAPK1KMT2A
SCHEMBL15191018 0.73 HTT (0.49) RXFP1GAANPSR1TSHRHTT

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-2020219729-A1 PAPD5 INHIBITORS AND METHODS OF USE THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-10-29 WO disclosed