SCHEMBL7362610

SCHEMBL7362610

Cc1ccc(C(=O)c2ncccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 4/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
AGER Q15109 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
AKR1C3 P42330 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 2/20 0.52
SRD5A2 P31213 1/20 0.50
TP53 P04637 1/20 0.50
COMT P21964 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
DHODH Q02127 1/20 0.48
LMNA P02545 3/20 0.47
MYC P01106 1/20 0.46

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
SCHEMBL7369102 0.88 KDM4E (0.67) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL6987666 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL7347947 0.86 ALDH1A1 (0.69) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL7842762 0.84 KDM4E (0.61) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL7365695 0.84 KDM4E (0.61) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL9172028 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL7362858 0.83 KDM4E (0.56) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL2881107 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL7366419 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL11234141 0.83 CNR2 (0.57) ALDH1A1KDM4ECYP3A4MAPTALOX15

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