SCHEMBL9624052

SCHEMBL9624052

COc1cccnc1P(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
PLAU P00749 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
GRM5 P41594 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
NFE2L2 Q16236 2/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PPP1CA P62136 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL9623906 0.88 GAA (0.46) PLAUPDGFRBPDGFRAGRM5ASIC3
SCHEMBL9624190 0.86 GAA (0.44) PLAUPDGFRBPDGFRAGRM5ASIC3
SCHEMBL9624136 0.78 DYRK1A (0.46) PDGFRBPDGFRANFE2L2MAPTHTT
SCHEMBL9623830 0.77 ACHE (0.33) ALDH1A1KMT2ANPC1RAB9AACHE
SCHEMBL9624228 0.76 HSD11B1 (0.40) SMN1; SMN2GAAALDH1A1MAPTHTT
SCHEMBL17529839 0.73 NFE2L2 (0.41) NFE2L2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL17529765 0.73 NFE2L2 (0.41) NFE2L2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL9624069 0.72 MEN1 (0.36) PLAUPDGFRBPDGFRAGRM5ASIC3
SCHEMBL17529737 0.72 CA1 (0.44) NFE2L2HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL17529674 0.72 CA1 (0.44) NFE2L2HPGDSMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307026-B1 PROCESS FOR THE PREPARATION OF A BUTENE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-18 EP disclosed
EP-0271144-B1 PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-16 EP disclosed
EP-0282142-B1 PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-11 EP disclosed
US-4940787-A Process for the carbonylation of acetylenic unsaturated compounds SHELL OIL COMPANY (US) 1990-07-10 US disclosed
EP-0307026-A1 Process for the preparation of a butene SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-15 EP disclosed
US-4786443-A Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL OIL COMPANY (US) 1988-11-22 US disclosed
EP-0282142-A1 Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-09-14 EP disclosed
EP-0271144-A2 Process for the carbonylation of acetylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-15 EP disclosed