SCHEMBL27474348

SCHEMBL27474348

NC(=O)c1sc2nc(-c3ccco3)cc(-c3cccs3)c2c1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.68
LIMK1 P53667 2/20 0.66
MAPT P10636 6/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
LMNA P02545 4/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
RECQL P46063 1/20 0.59
MCL1 Q07820 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HIF1A Q16665 1/20 0.57
POLB P06746 2/20 0.55
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52

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
SCHEMBL27473109 0.92 LIMK1 (0.57) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL6219257 0.88 KMT2A (0.58) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL6218572 0.85 ALDH1A1 (0.58) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL6216835 0.85 KMT2A (0.80) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL4193885 0.84 IKBKB (0.72) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL4199055 0.84 LIMK1 (0.83) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL4188967 0.81 LIMK1 (0.69) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL4463870 0.81 PTGS2 (0.72) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL4193124 0.81 LIMK1 (0.69) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL4197344 0.81 LIMK1 (0.69) IKBKBLIMK1MAPTALDH1A1HPGD

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
CN-1177848-C Bicyclic heteroaromatic compounds useful as LH agonists ��˹��ŵ�� 2004-12-01 CN disclosed
CN-1349535-A Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL NV (NL) 2002-05-15 CN disclosed