SCHEMBL11648917

SCHEMBL11648917

CC(C)NC(=O)c1cnc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
OGA O60502 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPK14 Q16539 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKCG P05129 1/20 0.38

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
SCHEMBL12455912 0.82 TP53 (0.44) ALDH1A1TP53MAPK1HPGDL3MBTL1
SCHEMBL286127 0.81 TP53 (0.46) ALDH1A1TP53MAPK1HPGDL3MBTL1
SCHEMBL21401433 0.81 TP53 (0.43) ALDH1A1TP53MAPK1HPGDL3MBTL1
SCHEMBL7259530 0.81 TP53 (0.43) ALDH1A1TP53MAPK1HPGDL3MBTL1
SCHEMBL11650054 0.79 USP2 (0.46) ALDH1A1HPGDSMN1; SMN2NPC1HTT
SCHEMBL23562689 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL26469152 0.78 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2NPC1HTT
Hydrochloric Acid SCHEMBL23540009 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL24097794 0.76 SMN1; SMN2 (0.34) ALDH1A1HPGDL3MBTL1SMN1; SMN2NPC1
SCHEMBL20086449 0.76 CCNE1 (0.59) ALDH1A1HPGDL3MBTL1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4089865-A Certain thiazole compounds SYNTEX (U.S.A.) INC. (US) 1978-05-16 US disclosed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 US disclosed