SCHEMBL8184002

SCHEMBL8184002

CCC(=O)Oc1cccc(C2=C3C=CC(=N3)C(c3ccncc3)=C3C=CC(=N3)C(c3ccncc3)=C3C=CC(=N3)C(c3ccncc3)=C3C=CC2=N3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.42
▸ EPHX1 P07099 1/20 0.39
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL7614855 0.72 LMNA (0.49) LMNAKMT2AMAPK1KDM4EALDH1A1
SCHEMBL433808 0.72 DYRK1A (0.49) ACHEMAPTNPC1LMNARAB9A
SCHEMBL17651797 0.71 LMNA (0.40) ACHEMAPTNPC1LMNARAB9A
SCHEMBL17651767 0.71 LMNA (0.40) ACHEMAPTNPC1LMNARAB9A
SCHEMBL27838898 0.71 NOTUM (0.52) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL14080751 0.71 NOTUM (0.52) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL245938 0.71 MAPT (0.43) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL8184001 0.70 TOP1 (0.46) ACHEEPHX1
SCHEMBL402175 0.70 ACHE (0.59) ACHEEPHX1ELANE
SCHEMBL31622331 0.70 ACHE (0.59) ACHEEPHX1ELANE

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-6087493-A ENZYME IHIBITORS REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-11 — — US disclosed
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