SCHEMBL8307748

SCHEMBL8307748

CC(=O)Nn1cccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
DHFR P00374 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
NAPRT Q6XQN6 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 2/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
BCAT1 P54687 1/20 0.32

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
SCHEMBL1298778 0.77 LMNA (0.38) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8770339 0.72 L3MBTL1 (0.40) L3MBTL1NPC1RAB9AALDH1A1TSHR
SCHEMBL4773510 0.71 KDM4E (0.39) L3MBTL1NPC1RAB9AALDH1A1TSHR
SCHEMBL28860067 0.68
SCHEMBL10973432 0.65 NOTUM (0.55) L3MBTL1RAB9AALDH1A1TSHRHSD17B10
SCHEMBL30371592 0.65 NOTUM (0.55) L3MBTL1RAB9AALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL8995874 0.65 KMT2A (0.43) L3MBTL1NPC1RAB9AALDH1A1TSHR
SCHEMBL30479438 0.62 CRBN (0.47) L3MBTL1NPC1RAB9AALDH1A1HSD17B10
SCHEMBL5610745 0.61
SCHEMBL27551614 0.61

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-0582182-B1 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions HOECHST MARION ROUSSEL INC (US) 1999-10-20 EP disclosed