SCHEMBL7367939

SCHEMBL7367939

O=C(O)c1cccnc1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.57
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
CTNNB1 P35222 4/20 0.52
WNT3A P56704 4/20 0.52
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
IGFBP3 P17936 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.47

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
SCHEMBL7367755 0.90 SRD5A2 (0.57) SRD5A2ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL7365580 0.85 KMT2A (0.52) SRD5A2ALDH1A1CTNNB1WNT3ARAB9A
SCHEMBL7532873 0.82 SRD5A2 (0.69) SRD5A2ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL7365663 0.80 SMN1; SMN2 (0.50) SRD5A2ALDH1A1CTNNB1WNT3ARAB9A
SCHEMBL8178878 0.80 CTNNB1 (0.53) SRD5A2ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL9230598 0.77 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4ECYP3A4MAPT
SCHEMBL13548377 0.77 SRD5A2 (0.71) SRD5A2ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL7369102 0.77 KDM4E (0.67) SRD5A2ALDH1A1SMN1; SMN2KDM4ECYP3A4
SCHEMBL9225898 0.75 KDM4E (0.46) ALDH1A1CTNNB1WNT3ASMN1; SMN2KDM4E
SCHEMBL9222731 0.75 KDM4E (0.46) ALDH1A1CTNNB1WNT3ASMN1; SMN2KDM4E

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