SCHEMBL28258673

SCHEMBL28258673

CCCc1ccc(C(N)=O)c2c1[nH]c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JAK2 O60674 1/20 0.40
DYRK1A Q13627 1/20 0.40
ATM Q13315 1/20 0.40
BTK Q06187 9/20 0.39
RAB9A P51151 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL28258704 0.83 PIM1 (0.44) PIM1PIM3ALDH1A1KDM4EMAPT
SCHEMBL11386891 0.81 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPK1DYRK1A
SCHEMBL8573302 0.79 MEN1 (0.63) PIM1PIM3ALDH1A1KDM4EHPGD
SCHEMBL27982582 0.78 PIM1 (0.49) PIM1PIM3ALDH1A1JAK2DYRK1A
SCHEMBL28054157 0.77 PIM1 (0.46) PIM1PIM3ALDH1A1JAK2DYRK1A
SCHEMBL28058578 0.75 PIM1 (0.44) PIM1PIM3ALDH1A1JAK2DYRK1A
SCHEMBL28018016 0.75 DYRK1A (0.52) PIM1PIM3ALDH1A1KDM4EMAPT
SCHEMBL27982171 0.73 PIM1 (0.41) PIM1PIM3ALDH1A1JAK2DYRK1A
SCHEMBL28260173 0.72 PIM1 (0.43) PIM1PIM3ALDH1A1KDM4EMAPT
SCHEMBL28258739 0.71 PIM1 (0.48) PIM1PIM3ALDH1A1KDM4EHPGD

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-105008352-B Carbazole compounds useful as bromodomain inhibitors 百时美施贵宝公司 2018-12-07 CN disclosed