SCHEMBL9767880

SCHEMBL9767880

C=CC(=O)N(c1ccccn1)c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
NAPRT Q6XQN6 3/20 0.41
TP53 P04637 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
AGER Q15109 1/20 0.38

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
SCHEMBL22187005 0.83 ALDH1A1 (0.54) HTTNPSR1KDM4EL3MBTL1TDP1
SCHEMBL6648818 0.78 HTT (0.43) HTTNPSR1KDM4EL3MBTL1TDP1
SCHEMBL28358580 0.77 ALDH1A1 (0.46) KDM4ETDP1ALDH1A1MAPTPOLB
SCHEMBL174073 0.74 KMT2A (0.49) HTTNPSR1KDM4EL3MBTL1TDP1
SCHEMBL9768097 0.72 KDM4E (0.48) KDM4EL3MBTL1TDP1MEN1KMT2A
SCHEMBL27544152 0.71 KDM4E (0.56) KDM4ETDP1ALDH1A1MAPTPOLB
SCHEMBL31562044 0.71 KDM4E (0.56) KDM4ETDP1ALDH1A1MAPTPOLB
SCHEMBL5641708 0.71 LIPE (0.43) HTTNPSR1KDM4EL3MBTL1TDP1
SCHEMBL28996726 0.71 TSHR (0.42) HTTNPSR1KDM4EL3MBTL1TDP1
SCHEMBL935444 0.69 HTT (0.54) HTTNPSR1KDM4EL3MBTL1TDP1

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-5006548-A Hyaluronidase inhibitors, antiallergens, immunomodulators SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-04-09 US disclosed
EP-0153850-B1 ACRYLAMIDOBENZOIC ACID DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed