SCHEMBL10375294

SCHEMBL10375294

Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2)nc(C)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.48
MEN1 O00255 7/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX12 P18054 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
NPSR1 Q6W5P4 4/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.44
ABCG2 Q9UNQ0 6/20 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
SCHEMBL10375265 0.89 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL10375516 0.87 KDM4E (0.54) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL10375295 0.87 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL10375293 0.87 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL10377541 0.85 NPC1 (0.50) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL10377358 0.85 NPC1 (0.50) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL10376659 0.84 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL10376598 0.83 MAPT (0.43) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL10867553 0.82 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL10867548 0.82 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GAAKDM4E

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-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed