SCHEMBL8387754

SCHEMBL8387754

Nc1cc(O)c(Cn2nc(-c3ccccc3)n(C(F)(F)F)c2=O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.40
AVPR1A P37288 13/20 0.40
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
ADORA2A P29274 1/20 0.35
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33

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
SCHEMBL5753883 0.69 KMT2A (0.41) ALDH1A1POLB
SCHEMBL7943945 0.65 KMT2A (0.39)
SCHEMBL5754313 0.65 MEN1 (0.37) TP53ALDH1A1LMNAPOLB
SCHEMBL7944027 0.65 GAA (0.32)
SCHEMBL8102083 0.59 GAA (0.44) ALDH1A1
SCHEMBL6576018 0.58 BACE1 (0.58) ALDH1A1LMNAADORA2A
SCHEMBL7655306 0.58 HPGD (0.53) ALDH1A1LMNAPOLBADORA2A
SCHEMBL5753908 0.55 LMNA (0.42) ALDH1A1LMNAPOLB
SCHEMBL19667559 0.55 KMT2A (0.57) ALDH1A1LMNA
SCHEMBL25286042 0.54 GAA (0.45) ALDH1A1POLBL3MBTL1SLC16A3SLC16A1

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-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed