SCHEMBL30725849

SCHEMBL30725849

O=[N+]([O-])c1cccc(-n2ncc3ccccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
RAB9A P51151 4/20 0.57
HPGD P15428 3/20 0.57
NPC1 O15118 3/20 0.57
GFER P55789 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPK14 Q16539 1/20 0.53
FGFR1 P11362 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
CASP3 P42574 1/20 0.51
HTT P42858 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
ABHD16A O95870 1/20 0.48
SCN2A Q99250 1/20 0.48

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
SCHEMBL6298255 0.84 MEN1 (0.48) MAPTRAB9ANPC1CYP1A2CYP2C9
SCHEMBL476742 0.81 MEN1 (0.51) MAPTRAB9AHPGDNPC1GFER
SCHEMBL31039595 0.81 MEN1 (0.51) MAPTRAB9AHPGDNPC1GFER
SCHEMBL9926877 0.81 RAB9A (0.51) MAPTRAB9AHPGDNPC1GFER
SCHEMBL5382099 0.80 RAB9A (0.50) MAPTRAB9AHPGDNPC1GFER
SCHEMBL24543271 0.79 MAPT (0.55) MAPTRAB9AHPGDNPC1GFER
SCHEMBL29368311 0.79 MAPT (0.55) MAPTRAB9AHPGDNPC1GFER
SCHEMBL30032844 0.77 HPGD (0.54) RAB9AHPGDNPC1KMT2AFGFR1
SCHEMBL18289116 0.74 CYP11B2 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL2627244 0.74 IRAK4 (0.53) MAPTRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186066-A Indazole ALK5 inhibitor and preparation method and application thereof 中国药科大学 2023-12-08 CN disclosed