SCHEMBL8069562

SCHEMBL8069562

Cc1nsc(NC(=O)Cc2ccc(Oc3ccc(C#N)cc3)cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.47
CACNA1H O95180 8/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
IL18 Q14116 1/20 0.41
RORC P51449 3/20 0.41
GLS O94925 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39

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
SCHEMBL8094492 0.86 MAPK8 (0.41) MAPK8MAPK9MAPK10KDM4EGLS
SCHEMBL7233873 0.83 MAPK8 (0.54) MAPK8MAPK9MAPK10KDM4EMEN1
SCHEMBL8104093 0.82 KMT2A (0.49) MAPK8MEN1LMNAPOLBMAPT
SCHEMBL8094581 0.81 SMN1; SMN2 (0.40) MAPK8MAPK9MAPK10KDM4EMEN1
SCHEMBL7232438 0.79 GLS (0.43) MAPK8KDM4ELMNAPOLBMAPT
SCHEMBL6560595 0.78 RORC (0.47) MAPK8CACNA1HKDM4EMEN1LMNA
SCHEMBL7998311 0.78 GLS (0.44) MAPK8KDM4EPOLBMAPTRAB9A
SCHEMBL6906376 0.77 CACNA1H (0.48) CACNA1HKDM4EMEN1LMNAPOLB
SCHEMBL8094494 0.76 MAPK8 (0.44) MAPK8LMNAMAPTRAB9ARORC
SCHEMBL8490597 0.76 RORC (0.44) MAPK8LMNAPOLBMAPTPKM

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-1005461-A1 ACYLATED 5-AMINOISOTHIAZOLES AS PESTICIDES AND FUNGICIDES Bayer Aktiengesellschaft (DE) 2000-06-07 EP disclosed
WO-1999010334-A1 ACYLATED 5-AMINOISOTHIAZOLES AS PESTICIDES AND FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-04 WO disclosed