SCHEMBL7868972

SCHEMBL7868972

COc1nc2c(OC)cccc2nc1OC1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 5/20 0.47
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ G6PD P11413 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ MCHR1 Q99705 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
SCHEMBL27689752 0.80 NQO2 (0.69) NQO2POLBMAPTRAB9ANPC1
SCHEMBL27897957 0.73 NQO2 (0.62) NQO2POLBMAPTRAB9ANPC1
SCHEMBL7673875 0.72 NQO2 (0.43) NQO2POLBMAPTRAB9ANPC1
SCHEMBL30363708 0.70 NQO2 (0.88) NQO2POLBMAPTRAB9ANPC1
SCHEMBL3731976 0.70 NQO2 (0.88) NQO2POLBMAPTRAB9ANPC1
SCHEMBL6034058 0.68 NQO2 (0.61) NQO2POLBMAPTRAB9ANPC1
SCHEMBL13439501 0.68 NQO2 (0.84) NQO2POLBMAPTRAB9ANPC1
SCHEMBL27529467 0.66 NQO2 (0.43) NQO2POLBMAPTRAB9ANPC1
SCHEMBL18387454 0.65 NQO2 (0.61) NQO2POLBMAPTRAB9ANPC1
SCHEMBL1513023 0.65 NQO2 (1.00) NQO2POLBMAPTRAB9ANPC1

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
EP-1133481-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-R AND/OR LCK TYROSINE KINASE INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-09-19 — — EP disclosed
WO-2000031049-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-R AND/OR LCK TYROSINE KINASE INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-02 — — WO disclosed
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