SCHEMBL11533151

SCHEMBL11533151

CNC(=O)O/N=C(/CSc1nccn1C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 5/20 0.44
POLB P06746 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX12 P18054 1/20 0.44
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
CYP1A2 P05177 1/20 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
SCHEMBL11533154 1.00 RAB9A (0.45) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL11530902 0.79 TSHR (0.39) L3MBTL1SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL11530907 0.79 TSHR (0.39) L3MBTL1SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL11533119 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HSD17B10PKMLMNA
SCHEMBL11533124 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HSD17B10PKMLMNA
SCHEMBL11532668 0.75 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL11532667 0.75 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL11532623 0.74 KMT2A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL11532626 0.74 KMT2A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL11853020 0.73 FFAR1 (0.42) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154944-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US claimed
US-4156082-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-22 US disclosed
US-4154944-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154732-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154733-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4118389-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1978-10-03 US disclosed