SCHEMBL7366513

SCHEMBL7366513

O=C(c1cccc(Br)c1)c1cccnc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
BLM P54132 1/20 0.56
AGER Q15109 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
TDP1 Q9NUW8 4/20 0.44
GAA P10253 2/20 0.44
PARP1 P09874 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL7365802 0.88 MAPT (0.56) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL7364613 0.83 TDP1 (0.49) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL296670 0.82 KDM4E (0.69) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL7366851 0.82 ALOX15 (0.56) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL7366799 0.82 POLB (0.63) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL9375327 0.81 KDM4E (0.54) MAPTALDH1A1KDM4EL3MBTL1TSHR
Hydrochloric Acid SCHEMBL7853761 0.81 KDM4E (0.67) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL8027078 0.80 TLR7 (0.50) MAPTALDH1A1L3MBTL1TSHRCYP3A4
Oxalic Acid SCHEMBL31550428 0.80 KDM4E (0.65) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL7365960 0.79 KDM4E (0.51) MAPTALDH1A1KDM4EL3MBTL1TSHR

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