SCHEMBL23620101

SCHEMBL23620101

COc1ccc(Nc2ccc3c(SN)cc(NC(=O)Cc4ccccc4Cl)cc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
CSNK1D P48730 2/20 0.47
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
P2RX4 Q99571 2/20 0.44
KDR P35968 1/20 0.44
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK2 P49760 1/20 0.40
PRKX P51817 1/20 0.40
CAMK2D Q13557 1/20 0.40
PKN2 Q16513 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL24713538 0.87 CSNK1D (0.48) CSNK1DP2RX4KDRROCK2ROCK1
SCHEMBL23619751 0.86 P2RX4 (0.57) MAPTP2RX4
SCHEMBL30812872 0.86 P2RX4 (0.57) MAPTP2RX4
SCHEMBL23620078 0.86 CSNK1D (0.45) MAPTCSNK1DLMNATP53P2RX4
SCHEMBL23620069 0.85 CSNK1D (0.46) CSNK1DP2RX4ROCK2ROCK1MEN1
SCHEMBL23620039 0.82 KCNJ5 (0.48) CSNK1DP2RX4CLK2PRKXCAMK2D
SCHEMBL24713400 0.81 KCNJ5 (0.47) CSNK1DLMNAP2RX4CLK2PRKX
SCHEMBL23620030 0.79 P2RX4 (0.42) CSNK1DP2RX4ROCK2ROCK1CLK2
SCHEMBL23619781 0.78 KCNJ5 (0.45) CSNK1DP2RX4ROCK2CLK2PRKX
SCHEMBL23620040 0.78 KCNJ5 (0.43) MAPTCSNK1DTP53P2RX4MEN1

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-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
WO-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed