SCHEMBL8499264

SCHEMBL8499264

CO/C=C(\C(=O)OOc1cc(Oc2ccccc2C#N)ncn1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PIN1 Q13526 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPK14 Q16539 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SYK P43405 1/20 0.34
DHODH Q02127 1/20 0.33
DCK P27707 1/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
EZH2 Q15910 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2108063 1.00 MAP4K4 (0.36) MAP4K4NPC1RAB9APIN1POLB
SCHEMBL8337937 0.86 SMN1; SMN2 (0.38) MAP4K4NPC1RAB9AGAAALDH1A1
SCHEMBL8337947 0.86 SMN1; SMN2 (0.38) MAP4K4NPC1RAB9AGAAALDH1A1
SCHEMBL2107178 0.86 KDM4E (0.38) MAP4K4NPC1RAB9ASMN1; SMN2
SCHEMBL2107181 0.86 KDM4E (0.38) MAP4K4NPC1RAB9ASMN1; SMN2
SCHEMBL8341508 0.82 L3MBTL1 (0.34) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL8341499 0.82 L3MBTL1 (0.34) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL435488 0.82 PIN1 (0.39) MAP4K4NPC1RAB9APIN1POLB
SCHEMBL435486 0.82 PIN1 (0.39) MAP4K4NPC1RAB9APIN1POLB
SCHEMBL30819212 0.82 PIN1 (0.39) MAP4K4NPC1RAB9APIN1POLB

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 4 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