SCHEMBL9837688

SCHEMBL9837688

CSc1nccn1Cc1cc(F)cc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
DBH P09172 1/20 0.41
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL10624724 0.83 DBH (0.44) GFERDBHTP53LMNAALDH1A1
SCHEMBL10399535 0.80 ALDH1A1 (0.43) DBHHTTTP53LMNAALDH1A1
Hydrochloric Acid SCHEMBL10399707 0.79 ALDH1A1 (0.42) DBHHTTTP53LMNAALDH1A1
SCHEMBL10511738 0.79 TP53 (0.38) DBHHTTTP53LMNAALDH1A1
Hydrochloric Acid SCHEMBL10399706 0.78 TP53 (0.38) DBHHTTTP53LMNAALDH1A1
SCHEMBL10425442 0.77 ALDH1A1 (0.55) HTTTP53LMNAALDH1A1MEN1
SCHEMBL7215334 0.77 MEN1 (0.60) HTTLMNAALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL10424921 0.76 ALDH1A1 (0.54) HTTTP53LMNAALDH1A1MEN1
SCHEMBL10621243 0.76 GFER (0.43) GFERTP53LMNAALDH1A1MEN1
SCHEMBL10512073 0.76 POLB (0.41) HTTTP53LMNAALDH1A1MEN1

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
US-4992459-A Hypotensive agents, antiulcer agents SMITHKLINE BEECHAM CORPORATION (US) 1991-02-12 US claimed