SCHEMBL9806710

SCHEMBL9806710

O=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.65
▸ ESR1 P03372 1/20 0.62
▸ POLB P06746 4/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ ENPP2 Q13822 1/20 0.57
▸ CTDSP1 Q9GZU7 2/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA7 P43166 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53

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
SCHEMBL17166274 0.93 RAB9A (0.76) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL1306810 0.92 RAB9A (0.76) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL17166046 0.86 RAB9A (0.67) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL29728136 0.84 RAB9A (0.64) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL12112142 0.83 POLB (0.56) RAB9AESR1POLBTDP1MEN1
SCHEMBL14338938 0.83 RAB9A (0.73) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL10119800 0.83 ESR1 (0.74) RAB9AESR1POLBTDP1MEN1
SCHEMBL10381360 0.81 RAB9A (0.61) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL7567814 0.81 ESR1 (0.72) RAB9AESR1POLBTDP1MEN1
SCHEMBL11912138 0.81 POLB (0.63) RAB9APOLBTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996279-A Crosslinked epoxies from diepoxides, diphenols, primary and secondary amines with stiff and flexible units; melt processability SHELL OIL COMPANY (US) 1991-02-26 — — US claimed
US-4996279-A Crosslinked epoxies from diepoxides, diphenols, primary and secondary amines with stiff and flexible units; melt processability SHELL OIL COMPANY (US) 1991-02-26 — — US disclosed
US-4960912-A EPOXY RESINS, POLYEPOXDIES SHELL OIL COMPANY (US) 1990-10-02 — — US disclosed
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