SCHEMBL7365580

SCHEMBL7365580

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 8/20 0.50
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
TDP1 Q9NUW8 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
SCHEMBL7365663 0.91 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7367939 0.85 SRD5A2 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL7367755 0.80 SRD5A2 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7367891 0.79 MEN1 (0.52) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL7362977 0.79 ALDH1A1 (0.45) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7370453 0.78 ALOX15 (0.50) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7360249 0.77 KDM4E (0.51) KMT2ASMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL7366038 0.77 KDM4E (0.50) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7364891 0.76 TDP1 (0.56) KMT2ARAB9AALDH1A1MAPTHSD17B10
SCHEMBL8178878 0.76 CTNNB1 (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1CASP3

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