SCHEMBL7842728

SCHEMBL7842728

CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1.CCOC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.80
HCAR3 P49019 3/20 0.60
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PTGER4 P35408 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
PSMD14 O00487 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL15319505 0.94 HCAR3 (0.68) ALOX15HCAR3KMT2AALDH1A1MAPT
SCHEMBL15320045 0.94 HCAR3 (0.68) ALOX15HCAR3KMT2AALDH1A1MAPT
SCHEMBL15320956 0.94 HCAR3 (0.68) ALOX15HCAR3KMT2AALDH1A1MAPT
SCHEMBL2027705 0.94 HCAR3 (0.68) ALOX15HCAR3KMT2AALDH1A1MAPT
SCHEMBL15319810 0.93 HCAR3 (0.70) ALOX15HCAR3KMT2AALDH1A1MAPT
SCHEMBL15320365 0.91 HCAR3 (0.70) ALOX15HCAR3KMT2AALDH1A1MAPT
SCHEMBL31385531 0.89 ALOX15 (1.00) ALOX15ALDH1A1MAPTRAB9ANPC1
SCHEMBL15320214 0.89 ALOX15 (1.00) ALOX15ALDH1A1MAPTRAB9ANPC1
SCHEMBL15319744 0.89 ALOX15 (1.00) ALOX15ALDH1A1MAPTRAB9ANPC1
SCHEMBL2032512 0.89 ALOX15 (1.00) ALOX15ALDH1A1MAPTRAB9ANPC1

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-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed