SCHEMBL1938751

SCHEMBL1938751

O=C(O)c1cccn1CCBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 6/20 0.37
PPARG P37231 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL1939197 0.89 LMNA (0.40) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL15152280 0.87 LMNA (0.42) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL1664496 0.84 LMNA (0.44) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL543285 0.83 CNR2 (0.38) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL29065048 0.81 LMNA (0.42) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL5776620 0.81 MEN1 (0.42) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL18322299 0.79 KDM4E (0.41) LMNAMEN1ALDH1A1MAPTKMT2A
SCHEMBL9688839 0.79 SMN1; SMN2 (0.44) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL28345767 0.78 FABP4 (0.45) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL1606849 0.78 CNR2 (0.42) LMNAMEN1ALDH1A1MAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107787322-B Tricyclic compounds and their use as phosphodiesterase inhibitors 辉瑞大药厂 2023-07-07 CN disclosed
EP-2185561-B1 1,2,3,4-tetrahydropyrrolo(1,2-a)pyrazine-6-carboxamide and 2,3,4,5-tetrahydropyrrolo(1,2-a)-diazepine-7-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2011-06-15 EP disclosed
EP-2185561-A2 1,2,3,4-TETRAHYDROPYRROLOÝ1,2-A¨PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLOÝ1,2-A¨Ý1,4¨-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044007-A2 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-A][1,4]-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed