SCHEMBL28314009

SCHEMBL28314009

c1ccc2c(c1)nnn2-c1nc[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.42
SLC9A1 P19634 3/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
KEAP1 Q14145 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.40
DGAT1 O75907 1/20 0.39
KMT2A Q03164 2/20 0.38

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
SCHEMBL7775301 0.78 KCNMA1 (0.48) KCNMA1SMN1; SMN2ALDH1A1SLC9A1CYP1A2
SCHEMBL16796215 0.77 RAB9A (0.68) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL7188077 0.74 RAB9A (0.54) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL256011 0.73 SMN1; SMN2 (0.41) RAB9AKCNMA1SMN1; SMN2ALDH1A1POLB
SCHEMBL12204565 0.70 SMN1; SMN2 (0.62) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL3873515 0.69 RAB9A (0.57) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL12204569 0.69 RAB9A (0.56) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL165333 0.69 SMN1; SMN2 (0.71) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL25851385 0.68 RAB9A (0.39) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL23586698 0.68 MAPT (0.51) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1

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
CN-114787288-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-02-13 CN disclosed
CN-110114448-A Lubricating composition with alkylated naphthylamines 路博润公司 2019-08-09 CN disclosed