SCHEMBL11595757

SCHEMBL11595757

O=C(Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 6/20 0.67
RECQL P46063 6/20 0.56
KMT2A Q03164 6/20 0.56
HSD17B10 Q99714 6/20 0.56
TDP1 Q9NUW8 6/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 3/20 0.56
USP2 O75604 2/20 0.56
APEX1 P27695 5/20 0.53
MAPT P10636 5/20 0.53
PKM P14618 5/20 0.53
P2RX1 P51575 5/20 0.53
LMNA P02545 4/20 0.53
POLB P06746 4/20 0.53
CYP3A4 P08684 4/20 0.53
NFKB1 P19838 4/20 0.53
BLM P54132 4/20 0.53
CYP1A2 P05177 3/20 0.53
BRCA1 P38398 3/20 0.53
STAT1 P42224 3/20 0.53

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
SCHEMBL11440620 0.95 TIMP3 (0.61) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11438261 0.94 TIMP3 (0.60) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11581452 0.89 TIMP3 (0.53) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11438115 0.89 TIMP3 (0.69) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11514021 0.88 TIMP3 (0.72) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11593852 0.87 TIMP3 (0.57) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11597795 0.87 APEX1 (0.69) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11595543 0.86 TIMP3 (0.56) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11411315 0.86 TIMP3 (0.61) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11436257 0.86 APEX1 (0.53) TIMP3RECQLKMT2AHSD17B10TDP1

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-4129591-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 US disclosed