SCHEMBL21883522

SCHEMBL21883522

CC(C)(O)CC(C)(C)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
AHR P35869 2/20 0.40
CHRM2 P08172 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BLM P54132 1/20 0.37
CYP2D6 P10635 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FDPS P14324 1/20 0.35
NPC1 O15118 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
SCHEMBL946635 0.81 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1
SCHEMBL29965849 0.81 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1
SCHEMBL24608558 0.80 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1
SCHEMBL29750392 0.80 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1
SCHEMBL13330624 0.79 CHRM2 (0.49) L3MBTL1SMN1; SMN2CHRM2ALDH1A1CHRM3
SCHEMBL23029720 0.79 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1
SCHEMBL24977021 0.78 SMN1; SMN2 (0.42) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1
SCHEMBL4728011 0.78 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1
SCHEMBL6921056 0.77 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1
SCHEMBL12717303 0.77 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2AHRCHRM2ALDH1A1

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-2736885-B1 QUINOLINE-, QUINOXALINE OR BENZOTHIAZOLE BASED CYSTEINYL LEUKOTRIENE ANTAGONISTS (LTC4) SUN PHARMA ADVANCED RES CO LTD (IN) 2020-03-25 EP disclosed