SCHEMBL31414959

SCHEMBL31414959

O=C(Nc1ccccn1)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.70
NPC1 O15118 4/20 0.70
SMN1; SMN2 Q16637 1/20 0.67
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.61
HIF1A Q16665 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPK8 P45983 1/20 0.60
MAPK10 P53779 1/20 0.60
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
HDAC1 Q13547 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC2 Q92769 1/20 0.57
KCNK3 O14649 1/20 0.57
HTT P42858 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PKM P14618 2/20 0.56
F2 P00734 1/20 0.56

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
SCHEMBL6646471 1.00 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL23406055 0.86 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2LMNAHIF1A
SCHEMBL6642201 0.85 KMT2A (0.67) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL3408514 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL997866 0.84 RAB9A (0.89) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL29366822 0.84 RAB9A (0.89) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL5359661 0.84 GAA (0.66) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL7189774 0.83 RAB9A (0.86) RAB9ANPC1SMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL27681799 0.83 RAB9A (0.86) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL23406080 0.83 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2LMNAHIF1A

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-119584951-A Composition comprising a UV filter stabilizer 西姆莱斯股份公司 2025-03-07 CN disclosed