SCHEMBL27363853

SCHEMBL27363853

Cc1ccc2c(c1)oc1nc(C)nc(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ HPGD P15428 5/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ MAPT P10636 5/20 0.37
▸ NPC1 O15118 6/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ PKM P14618 1/20 0.36
▸ CDC25A P30304 1/20 0.35
▸ CDC25C P30307 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL25847178 0.79 SMN1; SMN2 (0.44) ALDH1A1HPGDGAAKDM4ENPC1
SCHEMBL18852810 0.79 ELANE (0.37) ALDH1A1HPGDGAAMAPTNPC1
SCHEMBL19725781 0.73 MAOB (0.38) MAOBALDH1A1HPGDGAAKDM4E
SCHEMBL27363855 0.73 KDM4E (0.46) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL18054021 0.70 CYP1A2 (0.42) MAOBALDH1A1HPGDGAAKDM4E
SCHEMBL18054845 0.69 ALDH1A1 (0.40) MAOBALDH1A1HPGDGAAKDM4E
SCHEMBL18852799 0.69 HNF4A (0.47) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL9927267 0.69 MAOB (0.53) MAOBALDH1A1HPGDGAAKDM4E
SCHEMBL23940175 0.68 IDO1 (0.43) MAOBALDH1A1HPGDGAAKDM4E
SCHEMBL15045611 0.67 MAOB (0.38) MAOBALDH1A1HPGDGAAKDM4E

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
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 — — US disclosed
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