SCHEMBL8490231

SCHEMBL8490231

Cc1nscc1NC(=O)Cc1cccc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
RIPK3 Q9Y572 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.41
RORC P51449 1/20 0.40
CSNK1D P48730 1/20 0.40
PRKACA P17612 5/20 0.39
ROCK1 Q13464 5/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 2/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
BRAF P15056 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 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
SCHEMBL6654857 0.73 FFAR1 (0.53) RAB9APOLBLMNAMAPTKDM4E
SCHEMBL8487082 0.73 FFAR1 (0.40) RAB9AALDH1A1LMNAMAPTMAPK8
SCHEMBL6651458 0.73 F10 (0.49) RAB9APOLBLMNAMAPTKDM4E
SCHEMBL27874835 0.72 GAA (0.55) RAB9AALDH1A1POLBLMNAKDM4E
SCHEMBL6560595 0.71 RORC (0.47) RAB9APOLBRORCLMNAMAPT
SCHEMBL8490597 0.71 RORC (0.44) RAB9AALDH1A1POLBRORCLMNA
SCHEMBL29815800 0.70 CYP11B1 (0.56) RAB9APOLBLMNAMAPTKDM4E
SCHEMBL3174815 0.70 CYP11B1 (0.56) RAB9APOLBLMNAMAPTKDM4E
SCHEMBL8069562 0.69 MAPK8 (0.47) RAB9APOLBRORCLMNAMAPT
SCHEMBL17052990 0.68 CYP2A6 (0.52) RAB9AALDH1A1LMNAKDM4ESMN1; SMN2

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
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