SCHEMBL29382005

SCHEMBL29382005

COc1c(C)nn(C)c(=O)c1-c1c(Br)sc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
PLA2G10 O15496 1/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
TP53 P04637 3/20 0.36
POLB P06746 2/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RXFP1 Q9HBX9 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL22500189 1.00 MAPT (0.38) MAPTPLA2G10HPGDRAB9ANPC1
SCHEMBL22499974 0.84 MAPK8 (0.39) MAPTKDM4EMEN1KMT2A
SCHEMBL29385131 0.81 MAOB (0.41) HPGDRAB9ANPC1CYP3A4SMN1; SMN2
SCHEMBL29384893 0.79 UBE2N (0.37) L3MBTL1TDP1MEN1KMT2A
SCHEMBL28666652 0.79 UBE2N (0.37) L3MBTL1TDP1MEN1KMT2A
SCHEMBL15353532 0.74 IMPDH2 (0.42) MAPTHPGDCYP1A2CYP2C9CDK8
SCHEMBL12906309 0.72 CDK8 (0.42) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL469899 0.72 GSK3B (0.46) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL28682257 0.71 HSP90AA1 (0.42) MAPTHPGDRAB9ANPC1CYP1A2
SCHEMBL28679753 0.71 HSP90AA1 (0.42) MAPTHPGDRAB9ANPC1CDK8

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
EP-3949731-A1 PYRIDAZINONE COMPOUND AND HERBICIDE Nissan Chemical Corporation (JP) 2022-02-09 EP disclosed