SCHEMBL7362876

SCHEMBL7362876

COC(=O)c1cc(-c2ncccc2C(=O)O)ccc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAP2K1 Q02750 1/20 0.41
METAP2 P50579 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 2/20 0.40
BDKRB1 P46663 3/20 0.39
DHODH Q02127 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ALOX5AP P20292 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL7365920 0.88 KDM4E (0.57) KDM4ETDP1L3MBTL1ADRB2ADRB1
SCHEMBL7365358 0.84 KDM4E (0.49) KDM4ETDP1PKML3MBTL1ALDH1A1
SCHEMBL7365259 0.80 TDP1 (0.53) KDM4ETDP1PKML3MBTL1ADRB2
SCHEMBL7363321 0.80 KDM4E (0.53) KDM4ETDP1L3MBTL1ADRB2ADRB1
SCHEMBL9375005 0.78 KDM4E (0.50) KDM4ETDP1L3MBTL1ADRB2ADRB1
SCHEMBL6982127 0.77 EGFR (0.52) KDM4EALDH1A1MEN1KMT2A
SCHEMBL7367740 0.77 KDM4E (0.47) KDM4ETDP1PKML3MBTL1ALDH1A1
SCHEMBL9119779 0.77 PKM (0.48) KDM4ETDP1PKML3MBTL1MAP2K1
SCHEMBL7370858 0.76 KDM4E (0.48) KDM4ETDP1L3MBTL1ALDH1A1MEN1
SCHEMBL7362874 0.75 KDM4E (0.50) KDM4ETDP1PKML3MBTL1MAP2K1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed