SCHEMBL15959088

SCHEMBL15959088

NC(=O)c1ccc2c3ccc4c5ccc6c7ccc8c9c(ccc(c%10ccc(c%11ccc(c%12ccc(Cc%13ccccc%13)c1c%122)c3c%114)c5c%106)c97)C(=O)NC8=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 7/20 0.36
▸ PLA2G10 O15496 6/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ ELANE P08246 2/20 0.36
▸ CHEK1 O14757 4/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ BRCA1 P38398 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
SCHEMBL15959097 1.00 PLA2G2A (0.36) PLA2G2APLA2G10FEN1ELANECHEK1
SCHEMBL5187008 0.81 KMT2A (0.41) CHEK1MEN1RGS12USP2CYP1A2
SCHEMBL6932422 0.70 CHEK1 (0.36) CHEK1MEN1RGS12USP2CYP1A2
SCHEMBL6069711 0.69 TYMS (0.54) MEN1RGS12USP2CYP1A2POLB
SCHEMBL29541 0.68 PARP1 (0.50) CHEK1MEN1RGS12USP2CYP1A2
SCHEMBL7598089 0.68 PARP1 (0.50) CHEK1MEN1RGS12USP2CYP1A2
SCHEMBL7601076 0.68 PARP1 (0.50) CHEK1MEN1RGS12USP2CYP1A2
SCHEMBL30606639 0.68 PARP1 (0.50) CHEK1MEN1RGS12USP2CYP1A2
SCHEMBL27516216 0.67 CHEK1 (0.44) PLA2G2ACHEK1
SCHEMBL11051768 0.66 KMT2A (0.36) MEN1RGS12USP2CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260035-B1 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2014-08-20 — — EP disclosed
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