SCHEMBL28958505

SCHEMBL28958505

C#Cc1ccc(N)cc1.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
CA14 Q9ULX7 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
PTPN1 P18031 1/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL106193 0.89
Hydrochloric Acid SCHEMBL2015334 0.87 APP (0.55) APPCA14CA12CA1CA2
SCHEMBL9659495 0.82 CYP3A4 (0.58) APPCA14CA12CA1CA2
SCHEMBL1754885 0.82 APP (0.74) APPCA14CA12CA1CA2
SCHEMBL20819416 0.78 MEN1 (0.67) APPCA14MAPTMEN1KMT2A
SCHEMBL5488179 0.76 CYP3A4 (0.64) APPCA14CA12CA1CA2
SCHEMBL9658226 0.76 ALDH1A1 (0.64) APPMAPTMEN1KMT2ACYP3A4
SCHEMBL9296088 0.74 PTPN1 (0.44) APPCA14CA12CA1CA2
SCHEMBL28871 0.74 HDAC8 (0.59) CA14CA12CA1CA2CA4
Phenylacetylene SCHEMBL5853902 0.74 APP (0.43) APPCA14CA12CA1CA2

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-115589736-A Perovskite composite layer and solar cell 嘉庚创新实验室 2023-01-10 CN claimed
CN-115589736-A Perovskite composite layer and solar cell 嘉庚创新实验室 2023-01-10 CN disclosed