SCHEMBL8867433

SCHEMBL8867433

O=C(O)c1cccnc1-c1cc[nH]n1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NAPRT Q6XQN6 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DHODH Q02127 2/20 0.40
RUNX1 Q01196 1/20 0.39
MYC P01106 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
ALOX12 P18054 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL31657672 0.84 PARP1 (0.45) KDM4ETDP1ALDH1A1MAPTNAPRT
SCHEMBL17141443 0.84 PARP1 (0.45) KDM4ETDP1ALDH1A1MAPTNAPRT
SCHEMBL8867445 0.83 KDM4E (0.42) KDM4ETDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL28046952 0.80 PRKCI (0.55) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL8867005 0.79 TSHR (0.49) KDM4EALDH1A1L3MBTL1TSHRLMNA
SCHEMBL270419 0.77 KDM4E (1.00) KDM4ETDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL30639802 0.75 KDM4E (0.95) KDM4ETDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL30639818 0.75 KDM4E (0.95) KDM4ETDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL29723448 0.75 KDM4E (0.95) KDM4ETDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL7360367 0.75 KDM4E (0.61) KDM4ETDP1ALDH1A1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670456-A Compounds SANDOZ LTD. (CH) 1997-09-23 US disclosed
US-5506191-A Heterocyclic hydrazines and hydrazones SANDOZ LTD. (CH) 1996-04-09 US disclosed