SCHEMBL8415569

SCHEMBL8415569

CCCCOC(=O)Nc1c[c]ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
GAA P10253 1/20 0.45
RAB9A P51151 10/20 0.45
NPC1 O15118 8/20 0.45
SMN1; SMN2 Q16637 8/20 0.45
HPGD P15428 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CASP1 P29466 1/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.45
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 1/20 0.42
STAT1 P42224 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL9513759 0.87 KMT2A (0.48) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL1921112 0.78 SMN1; SMN2 (0.59) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL7013319 0.77 MEN1 (0.42) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL128947 0.77 TSHR (0.45) L3MBTL1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL28610054 0.75 L3MBTL1 (0.51) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL15348832 0.75 L3MBTL1 (0.51) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL6950030 0.75 ATR (0.41) RAB9A
SCHEMBL996719 0.74 L3MBTL1 (0.53) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4800127 0.74 RAB9A (0.59) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL29814911 0.74 SMN1; SMN2 (0.58) L3MBTL1GAARAB9ANPC1SMN1; SMN2

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-5972927-A ANTIINFLAMMATORY, ANTIALLERGIC AND BRONCHODILATORY MEDICINAL PRODUCTS, TREATMENT OF ASTHMA JOUVEINAL (FR) 1999-10-26 US disclosed