SCHEMBL5041365

SCHEMBL5041365

CC(=O)Oc1ccccc1C(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL10192623 0.85 KMT2A (0.68) KMT2AMAPTRAB9AALDH1A1CA1
SCHEMBL2703394 0.84 LMNA (0.62) KMT2AMAPTRAB9AALDH1A1CA1
SCHEMBL2700947 0.84 RAB9A (0.62) KMT2AMAPTRAB9AALDH1A1CA1
SCHEMBL10247032 0.83 KCNK3 (0.45) KMT2AMAPTALDH1A1CA1CA2
SCHEMBL2700957 0.83 KMT2A (0.55) KMT2AMAPTRAB9AALDH1A1CA1
SCHEMBL6819232 0.83 CA1 (0.57) KMT2AMAPTRAB9AALDH1A1CA1
SCHEMBL2699617 0.83 POLB (0.55) KMT2AMAPTRAB9AALDH1A1CA1
SCHEMBL27901571 0.82 KMT2A (0.71) KMT2AMAPTRAB9AALDH1A1MEN1
SCHEMBL2698562 0.81 ALDH1A1 (0.63) KMT2AMAPTRAB9AALDH1A1KDM4E
SCHEMBL16190177 0.81 CA1 (0.60) KMT2AMAPTRAB9AALDH1A1CA1

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-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed