SCHEMBL9050459

SCHEMBL9050459

Cc1[nH]c2ccccc2c1C(=O)C1CCc2c(ncn2OC(=O)/C=C/C(=O)On2cnc3c2CCC(C(=O)c2c(C)[nH]c4ccccc24)C3)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 4/20 0.38
NR4A2 P43354 1/20 0.38
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 2/20 0.37
HSD17B10 Q99714 1/20 0.36
TSHR P16473 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
SCHEMBL9050466 0.88 SIRT1 (0.36) SMN1; SMN2ALOX15KMT2AMAPTALDH1A1
SCHEMBL9050442 0.86 MTNR1A (0.36) ALOX15KMT2AMAPTALDH1A1MEN1
SCHEMBL9052108 0.81 HTR3A (0.46) RAB9ASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL9052277 0.77 ADRA2A (0.55) RAB9ASMN1; SMN2ALOX15MAPTALDH1A1
SCHEMBL9048666 0.77 ADRA2A (0.55) RAB9ASMN1; SMN2ALOX15MAPTALDH1A1
SCHEMBL9052002 0.76 ALDH1A1 (0.36) RAB9ASMN1; SMN2ALOX15MAPTALDH1A1
SCHEMBL9049337 0.74 HTR3A (0.48) RAB9ASMN1; SMN2ALOX15KMT2AMAPT
SCHEMBL6271791 0.74 HTR3A (0.48) RAB9ASMN1; SMN2ALOX15KMT2AMAPT
Fumaric Acid SCHEMBL9050456 0.73 HTR3A (0.43) RAB9ASMN1; SMN2ALOX15KMT2AMAPT
SCHEMBL9051282 0.72 CNR2 (0.48) SMN1; SMN2MAPTALDH1A1

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
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP disclosed
EP-0381422-A1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-08-08 EP disclosed