SCHEMBL10449014

SCHEMBL10449014

[c]1nc(-c2cnco2)co1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ROCK2 O75116 1/20 0.36
KEAP1 Q14145 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K4 O95819 1/20 0.33
LTA4H P09960 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2675050 0.68 KDM4E (0.43) GAALMNAPKMMEN1KMT2A
SCHEMBL17701198 0.68 PTK2 (0.39) PTK2NOTUMGAALMNAPKM
SCHEMBL2150991 0.67 ROCK2 (0.49) PTK2NOTUMGAALMNAPKM
SCHEMBL9316319 0.67 PTK2 (0.42) PTK2NOTUMGAALMNAPKM
SCHEMBL17701220 0.65 PTK2 (0.46) PTK2NOTUMGAALMNAPKM
SCHEMBL17701234 0.65 ROCK2 (0.44) PTK2NOTUMGAALMNAPKM
SCHEMBL18437163 0.63 HDAC8 (0.31)
SCHEMBL17701212 0.63 PTK2 (0.38) PTK2NOTUMGAALMNAPKM
SCHEMBL2151325 0.63 ROCK2 (0.72) PTK2NOTUMGAALMNAPKM
SCHEMBL17701203 0.62 PTK2 (0.41) PTK2NOTUMGAALMNAPKM

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
EP-0353667-A1 Bithienyl derivatives, process for their preparation, and compositions containing them BASF Aktiengesellschaft (DE) 1990-02-07 EP claimed