SCHEMBL8525762

SCHEMBL8525762

[2H][N]C(=O)CN(c1ccc2c(C(=O)NCc3ccc(C(=N)N)cc3)cccc2c1)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.51
ALDH1A1 P00352 2/20 0.46
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ST14 Q9Y5Y6 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F10 P00742 1/20 0.36
KLKB1 P03952 1/20 0.35
ADORA2A P29274 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
SCHEMBL8491517 0.92 F2 (0.60) F2ALDH1A1HDAC2HDAC3HDAC4
SCHEMBL8489800 0.89 F2 (0.53) F2ALDH1A1HDAC2HDAC3HDAC4
Hydrochloric Acid SCHEMBL8525669 0.86 F2 (0.51) F2ALDH1A1HDAC2HDAC3HDAC4
Hydrochloric Acid SCHEMBL8525218 0.84 F2 (0.47) F2ALDH1A1HDAC2HDAC3HDAC4
Hydrochloric Acid SCHEMBL8525281 0.83 F2 (0.46) F2ALDH1A1HDAC2HDAC3HDAC4
SCHEMBL8525354 0.81 ALDH1A1 (0.44) F2ALDH1A1HDAC2HDAC3HDAC4
SCHEMBL7350847 0.80 F2 (0.63) F2ALDH1A1EGLN1F10KLKB1
SCHEMBL7359105 0.79 F2 (0.65) F2ALDH1A1EGLN1F10KLKB1
Hydrochloric Acid SCHEMBL8525302 0.78 F2 (0.56) F2ALDH1A1HDAC2HDAC3HDAC4
Hydrochloric Acid SCHEMBL8525508 0.78 ALDH1A1 (0.39) F2ALDH1A1HDAC2HDAC3HDAC4

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
WO-1999029670-A2 AMINOCARBONYLTETRALIN AND DIHYDRONAPHTALENE DERIVATES AS THROMBIN INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-17 WO disclosed