SCHEMBL30508671

SCHEMBL30508671

O=C(Nc1ccc2[nH]cnc2c1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
ULK1 O75385 2/20 0.50
POLB P06746 2/20 0.50
EPHX1 P07099 1/20 0.50
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
NAMPT P43490 2/20 0.46
JAK2 O60674 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL25426989 1.00 L3MBTL1 (0.56) L3MBTL1ULK1POLBEPHX1KMT2A
SCHEMBL14476489 0.93 EPHX1 (0.56) L3MBTL1POLBEPHX1KMT2ASMN1; SMN2
SCHEMBL29776580 0.93 ULK1 (0.57) L3MBTL1ULK1POLBEPHX1MAOA
SCHEMBL5265934 0.80 NAMPT (0.51) POLBEPHX1KMT2ASMN1; SMN2HTT
SCHEMBL839649 0.79 KDM4E (0.54) POLBEPHX1KMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL2397058 0.78 KDM4E (0.53) POLBEPHX1KMT2ASMN1; SMN2MEN1
SCHEMBL4355017 0.78 EPHX1 (0.82) EPHX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL8203673 0.77 ROCK2 (0.55) L3MBTL1ULK1ALDH1A1
SCHEMBL13373434 0.77 QPCT (0.53) POLBEPHX1KMT2ASMN1; SMN2MEN1
SCHEMBL22900681 0.77 NAMPT (0.54) POLBEPHX1SMN1; SMN2HTTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642773-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
CN-118591534-A Novel benzimidazole pyridine derivatives 豪夫迈·罗氏有限公司 2024-09-03 CN disclosed
WO-2024141444-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed