SCHEMBL28496766

SCHEMBL28496766

COc1c(I)c(CCNC(=O)C(F)(F)F)cc2c1OCO2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.43
▸ MTNR1B P49286 5/20 0.43
▸ NQO2 P16083 3/20 0.40
▸ TARBP2 Q15633 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL28498473 0.86 SMN1; SMN2 (0.42) MTNR1AMTNR1BTARBP2POLBGAA
SCHEMBL28498344 0.83 NQO2 (0.40) NQO2TARBP2POLBGAARAB9A
SCHEMBL28494985 0.82 KMT2A (0.43) TARBP2POLBGAARAB9A
SCHEMBL28493487 0.81 GAA (0.37) TARBP2POLBGAARAB9A
SCHEMBL28496550 0.79 POLB (0.43) TARBP2POLBGAARAB9A
SCHEMBL28498336 0.77 NPC1 (0.46) TARBP2GAARAB9A
SCHEMBL28491356 0.77 ALDH1A1 (0.40) MTNR1AMTNR1BPOLBRAB9A
SCHEMBL28497451 0.77 MTNR1A (0.40) MTNR1ANQO2TARBP2POLBGAA
SCHEMBL28494815 0.77 RAB9A (0.47) RAB9A
SCHEMBL28498699 0.74 POLB (0.46) POLB

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
CN-112110932-B Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy 沈阳药科大学 2021-12-28 — — CN disclosed
CN-112110932-A Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy 沈阳药科大学 2020-12-22 — — CN disclosed
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