SCHEMBL29035486

SCHEMBL29035486

O=C(Nc1c[c]ccc1)c1cnc2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.72
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.57
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
ABCB1 P08183 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL28904532 0.79 GRM4 (0.57) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL30494239 0.78 RAB9A (1.00) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL26986076 0.76 KDM4E (0.48) RAB9ANPC1KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL6084063 0.75 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL23461987 0.74 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL18530692 0.73 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL18530688 0.73 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL7488009 0.72 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL2306263 0.72 RAB9A (0.70) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL3859410 0.71 RAB9A (0.69) SMN1; SMN2RAB9ANPC1MAPTKDM4E

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-116437928-A Pharmaceutical composition for preventing, inhibiting or treating symptoms associated with allergic reactions 日本化学药品株式会社 2023-07-14 CN claimed