SCHEMBL8614931

SCHEMBL8614931

N=C(N)NC(=O)c1cc(-c2ccccc2)nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
PSMD14 O00487 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ELANE P08246 1/20 0.51
PAX8 Q06710 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
KCNH2 Q12809 1/20 0.47
CYP3A4 P08684 1/20 0.47
MMP2 P08253 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TACR3 P29371 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
SCHEMBL8619773 0.93 MAPT (0.55) MAPTKMT2AALDH1A1MEN1PSMD14
SCHEMBL8617246 0.90 MAPT (0.59) MAPTKMT2AALDH1A1MEN1PSMD14
SCHEMBL8617811 0.88 MAPT (0.71) MAPTKMT2AALDH1A1MEN1PSMD14
Hydrochloric Acid SCHEMBL8619180 0.88 MAPT (0.69) MAPTKMT2AALDH1A1MEN1PSMD14
SCHEMBL8615206 0.85 CYP3A4 (0.52) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL8617743 0.84 CYP3A4 (0.65) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL8615933 0.83 CYP3A4 (0.52) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8620745 0.83 CYP3A4 (0.64) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL8617733 0.82 CYP3A4 (0.58) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL8618231 0.82 RXFP1 (0.59) MAPTKMT2AALDH1A1MEN1SMN1; SMN2

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
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed