SCHEMBL7366799

SCHEMBL7366799

Cc1cccc(C(=O)c2cccnc2C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
AGER Q15109 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
VNN1 O95497 3/20 0.44
PARP1 P09874 1/20 0.44
MYC P01106 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7370711 0.88 POLB (0.63) POLBALDH1A1KDM4ENPSR1CYP3A4
SCHEMBL8994407 0.83 POLB (0.55) POLBALDH1A1KDM4ENPSR1MAPT
SCHEMBL6987666 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ENPSR1CYP3A4MAPT
SCHEMBL296670 0.82 KDM4E (0.69) ALDH1A1KDM4ENPSR1CYP3A4MAPT
SCHEMBL7366851 0.82 ALOX15 (0.56) ALDH1A1KDM4ENPSR1CYP3A4MAPT
SCHEMBL7366513 0.82 MAPT (0.56) POLBALDH1A1KDM4ENPSR1CYP3A4
SCHEMBL7370589 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ENPSR1CYP3A4MAPT
SCHEMBL7369163 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ENPSR1CYP3A4MAPT
SCHEMBL9375327 0.81 KDM4E (0.54) POLBALDH1A1KDM4ENPSR1CYP3A4
Hydrochloric Acid SCHEMBL7853761 0.81 KDM4E (0.67) ALDH1A1KDM4ENPSR1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652218-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
CN-1052004-C Heterocyclic compounds, their production and use TALCEDA CHEMICAL IND LTD (JP) 2000-05-03 CN disclosed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 EP 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