SCHEMBL17850662

SCHEMBL17850662

C[C@@H]1CCc2c(sc3ncnc(Cl)c23)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.70
TSHR P16473 1/20 0.60
LMNA P02545 4/20 0.56
CSNK2A2 P19784 3/20 0.56
CSNK2B P67870 3/20 0.56
CSNK2A1 P68400 3/20 0.56
ALDH1A1 P00352 3/20 0.56
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
CCNA1 P78396 1/20 0.56
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.53
PDE4A P27815 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
NOD2 Q9HC29 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL14459722 1.00 LIMK1 (0.70) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL13641045 0.90 MEN1 (0.60) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL10343475 0.90 MEN1 (0.60) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL19523758 0.83 HTT (0.63) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL17797480 0.83 LIMK1 (0.50) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL17816394 0.83 LIMK1 (0.50) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL10343608 0.83 HTT (0.63) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL15933915 0.82 LIMK1 (0.70) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL15533548 0.82 LIMK1 (0.70) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL17294588 0.81 LIMK1 (0.47) LIMK1TSHRLMNACSNK2A2CSNK2B

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-2852595-B1 SUBSTITUTED BENZOTHIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed