SCHEMBL8687136

SCHEMBL8687136

CCNC(=N)Nc1ccccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
ABCC1 P33527 3/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 2/20 0.54
CYP2C9 P11712 1/20 0.54
CLCN2 P51788 1/20 0.53
CFD P00746 1/20 0.53
GAA P10253 1/20 0.51
MASP2 O00187 1/20 0.50
MEN1 O00255 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.48
PKM P14618 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PTGER4 P35408 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
SCHEMBL13614088 0.83 GAA (0.71) KMT2AABCC1KDM4EPOLBHPGD
SCHEMBL111479 0.76 KMT2A (0.70) KMT2AABCC1KDM4EPOLBHPGD
SCHEMBL29543730 0.76 KMT2A (0.70) KMT2AABCC1KDM4EPOLBHPGD
SCHEMBL184136 0.75 ALDH1A1 (0.62) KMT2AABCC1KDM4EPOLBHPGD
Hydrochloric Acid SCHEMBL27870316 0.74 KMT2A (0.50) KMT2AABCC1KDM4EPOLBHPGD
SCHEMBL10922018 0.74 L3MBTL1 (0.69) KMT2AABCC1KDM4EPOLBHPGD
SCHEMBL233797 0.74 KMT2A (0.57) KMT2AABCC1KDM4EPOLBHPGD
Benzene SCHEMBL27690342 0.74 KMT2A (0.57) KMT2AABCC1KDM4EPOLBHPGD
SCHEMBL2968441 0.73 KMT2A (0.66) KMT2AABCC1KDM4EPOLBHPGD
SCHEMBL6997869 0.73 KMT2A (0.57) KMT2AABCC1KDM4EPOLBHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719151-A PHTHALAZINEDIONE COMPOUND; POLYMERASE INHIBITOR SHALL SYDNEY (GB) 1998-02-17 US disclosed