SCHEMBL8880692

SCHEMBL8880692

O=C(O)c1ccc(-n2[c]nnn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DDAH1 O94760 1/20 0.42
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 3/20 0.41
PTGS2 P35354 1/20 0.40
SRD5A2 P31213 1/20 0.39
CA2 P00918 2/20 0.39

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
Terephthalic Acid SCHEMBL11858116 0.66 TSHR (0.86) TP53TSHRALDH1A1CA12CA9
Terephthalic Acid SCHEMBL27400233 0.66 TSHR (0.86) TP53TSHRALDH1A1CA12CA9
Terephthalic Acid SCHEMBL175823 0.66 TSHR (1.00) TP53TSHRALDH1A1CA12CA9
Terephthalic Acid SCHEMBL5053781 0.66 TSHR (1.00) TP53TSHRALDH1A1CA12CA9
Terephthalic Acid SCHEMBL2511919 0.66 TSHR (1.00) TP53TSHRALDH1A1CA12CA9
Terephthalic Acid SCHEMBL1655 0.66 TSHR (1.00) TP53TSHRALDH1A1CA12CA9
Terephthalic Acid SCHEMBL28861642 0.63 TSHR (0.80) TP53TSHRALDH1A1CA12CA9
Terephthalic Acid SCHEMBL19665047 0.63 TSHR (0.80) TP53TSHRALDH1A1HPGDCA12
Terephthalic Acid SCHEMBL28535617 0.63 TSHR (0.80) TP53TSHRALDH1A1CA12CA9
Terephthalic Acid SCHEMBL4226573 0.63 TSHR (0.80) TP53TSHRALDH1A1HPGDCA12

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-5650422-A TREATMENT OF EMPHYSEMA, ARTHRITIS OR PANCREATITIS SANOFI (FR) 1997-07-22 US claimed
US-5236917-A Respiratory system disorders, antiarthritic agents STERLING WINTHROP INC. (US) 1993-08-17 US claimed