SCHEMBL8568893

SCHEMBL8568893

O=C(O)c1cccc(Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
NSD2 O96028 2/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
PTPN11 Q06124 1/20 0.50
CDC25B P30305 5/20 0.49
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
SNCA P37840 1/20 0.47
RHOA P61586 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAP2K7 O14733 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL10568239 0.87 TNNI3 (0.66) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL7784003 0.81 NSD2 (0.77) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL10905558 0.81 KMT2A (0.47) NSD2CASP6L3MBTL1MEN1KMT2A
SCHEMBL11340825 0.81 TIMP3 (0.55) NSD2MEN1KMT2AALDH1A1MAPT
SCHEMBL8338202 0.80 CASP6 (0.63) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL15169995 0.79 TNNI3 (0.66) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL14401355 0.76 RHOA (0.59) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL7076834 0.75 ALDH1A1 (0.65) CDC25BAKR1C3AKR1C2RHOAL3MBTL1
SCHEMBL11436263 0.75 CASP6 (0.51) CASP6L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL5804016 0.74 ALDH1A1 (0.44) TNNI3TNNT2TNNC1HKDC1NSD2

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
US-5795971-A FOR PAPER, CELLULOSE BAYER AKTIENGESELLSCHAFT (DE) 1998-08-18 US disclosed
EP-0827984-A1 Amino lower alkylnaphthaline carboxylic acid dyestuffs BAYER AG (DE) 1998-03-11 EP disclosed