SCHEMBL4728877

SCHEMBL4728877

COc1ccc(COCCCCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
APP P05067 7/20 0.45
CALM1 P0DP23 1/20 0.44
GBA1 P04062 1/20 0.43
UGCG Q16739 1/20 0.43
GBA2 Q9HCG7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 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
SCHEMBL27089918 0.98 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL1355360 0.98 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL16727734 0.98 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL6512199 0.95 L3MBTL1 (0.59) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL1427941 0.87 TDP1 (0.54) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL7230240 0.84 TDP1 (0.53) L3MBTL1TDP1IDO1CALM1NPC1
SCHEMBL17230523 0.84 L3MBTL1 (0.64) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL15233070 0.83 TDP1 (0.63) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL1354242 0.83 L3MBTL1 (0.56) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL9574168 0.83 TDP1 (0.59) L3MBTL1TDP1IDO1CALM1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113348164-B Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2023-08-29 CN disclosed
CN-113348164-A Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2021-09-03 CN disclosed
WO-2020155952-A1 PREPARATION METHOD FOR FUSED TRICYCLIC DERIVATIVE AND INTERMEDIATE 四川海思科制药有限公司 2020-08-06 WO disclosed
WO-2008044033-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2008-04-17 WO disclosed
US-6531469-B1 Treatment of myocardial ischemia, chronic stable angina, unstable angina and prinzmetal's angina attacks, silent cardiac ischemia, reinfarction, reocclusion and restenosis PIERRE FABRE MEDICAMENT (FR) 2003-03-11 US disclosed
EP-1144408-B1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PF MEDICAMENT (FR) 2002-09-25 EP disclosed
EP-1144408-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2001-10-17 EP disclosed
WO-2000043391-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2000-07-27 WO disclosed