SCHEMBL6560595

SCHEMBL6560595

Cc1cc(NC(=O)Cc2ccc(Oc3ccc(C#N)cc3)cc2)sn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.47
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
IL18 Q14116 1/20 0.43
MAPK8 P45983 1/20 0.43
GLS O94925 1/20 0.42
ROCK2 O75116 1/20 0.40
CACNA1H O95180 4/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
SCN9A Q15858 1/20 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
SCHEMBL8069562 0.78 MAPK8 (0.47) RORCKDM4EMEN1LMNAPOLB
SCHEMBL8490597 0.75 RORC (0.44) RORCLMNAPOLBMAPTPKM
SCHEMBL6906376 0.74 CACNA1H (0.48) KDM4EMEN1LMNAPOLBMAPT
SCHEMBL8988057 0.73 MAPK10 (0.48) RORCKDM4EMEN1LMNAPOLB
SCHEMBL11564197 0.71 RAB9A (0.54) KDM4EMEN1LMNAPOLBMAPT
SCHEMBL8490231 0.71 RIPK1 (0.43) RORCKDM4EMEN1LMNAPOLB
SCHEMBL6271911 0.70 ICAM1 (0.38) RORCKDM4EMEN1LMNAPOLB
SCHEMBL8987819 0.70 MAPK10 (0.45) RORCKDM4EMEN1LMNAPOLB
SCHEMBL7336030 0.69 SCN9A (0.55) SCN9A
SCHEMBL6917099 0.69 SRD5A2 (0.57) KDM4EMEN1LMNAPOLBMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861241-B1 ACYLATED 5-AMINOISOTHIAZOLES WITH INSECTICIDAL PROPERTIES, INTERMEDIATE PRODUCTS AND PROCESS FOR PRODUCING THEM BAYER CROPSCIENCE AG (DE) 2004-04-14 EP disclosed
US-6008366-A REACTING A ACYLATED 5-AMINOISOTHIAZOLE WITH A HALOGENATING OR NITRATING AGENTS IN PRESENCE OF DILUENTS BAYER AKTIENGESELLSCHAFT (DE) 1999-12-28 US disclosed
US-5972843-A FOR CONTROLLING INSECTS, ARACHNIDS AND NEMATODES, WHICH ARE ENCOUNTERED IN AGRICULTURE, IN FORESTRY, IN THE PROTECTION OF STORED PRODUCTS BAYER AKTIENGESELLSCHAFT (DE) 1999-10-26 US disclosed
EP-0861241-A1 ACYLATED 5-AMINOISOTHIAZOLES WITH INSECTICIDAL PROPERTIES, INTERMEDIATE PRODUCTS AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1998-09-02 EP disclosed
WO-1997018198-A1 ACYLATED 5-AMINOISOTHIAZOLES WITH INSECTICIDAL PROPERTIES, INTERMEDIATE PRODUCTS AND PROCESS FOR PRODUCING THEM BAYER AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed