SCHEMBL8499271

SCHEMBL8499271

CC=C(C(=O)Oc1cc(Oc2ccccc2C#N)ncn1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
PIN1 Q13526 2/20 0.38
MAPK14 Q16539 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SYK P43405 1/20 0.36
DHODH Q02127 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
DCK P27707 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
EZH2 Q15910 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8337946 0.84 SMN1; SMN2 (0.41) MAP4K4NPC1RAB9AGAAMAPK1
SCHEMBL2107180 0.84 KDM4E (0.39) MAP4K4NPC1RAB9ASMN1; SMN2
SCHEMBL435487 0.82 PIN1 (0.41) MAP4K4PIN1MAPK14NPC1RAB9A
SCHEMBL3958493 0.82 PIN1 (0.41) MAP4K4PIN1MAPK14NPC1RAB9A
SCHEMBL2108060 0.82 POLB (0.40) MAP4K4PIN1MAPK14NPC1RAB9A
SCHEMBL2108063 0.81 MAP4K4 (0.36) MAP4K4PIN1MAPK14NPC1RAB9A
SCHEMBL8499264 0.81 MAP4K4 (0.36) MAP4K4PIN1MAPK14NPC1RAB9A
SCHEMBL8341502 0.80 HTR2C (0.37) NPC1RAB9APOLBMAPK1SMN1; SMN2
SCHEMBL2107519 0.80 KDR (0.32) MAPK14NPC1RAB9APOLBGAA
SCHEMBL55086 0.80 MAP4K4 (0.39) MAP4K4PIN1MAPK14NPC1RAB9A

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
US-5935979-A FUNGICIDES FOR USE ON PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
US-5869687-A PREVENTING OR TREATING MILDEW, FUNGAL INFECTIONS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-09 US disclosed
US-5767137-A FOR INDUSTRIAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5763475-A PYRAZOLINE DERIVATIVES FOR CONTROLLING PHYTOPATHOGENIC FUNGI SUMITOMO CHEMICAL CO., LTD. (JP) 1998-06-09 US disclosed
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed