SCHEMBL28879244

SCHEMBL28879244

CCCCCC(C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.54
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
ESRRG P62508 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.46

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
SCHEMBL5744480 0.85 SIRT6 (0.60) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL3482783 0.80 ALDH1A1 (0.60) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL28335402 0.80 MAPT (0.51) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL1126955 0.79 MAPT (0.57) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL374834 0.79 SIRT6 (0.68) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL11668124 0.78 DRD2 (0.49) ALDH1A1LMNAMEN1KMT2A
SCHEMBL1045279 0.78 SIRT6 (0.62) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL2730000 0.77 KDM4E (0.63) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL7760522 0.77 SIRT6 (0.54) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL6945690 0.77 SIRT6 (0.65) SIRT6MAPTALDH1A1LMNAPOLB

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-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed
CN-110551105-A substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2019-12-10 CN disclosed