SCHEMBL11337052

SCHEMBL11337052

c1ccc(Nc2c[nH]nn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK10 P53779 1/20 0.53
GFER P55789 1/20 0.53
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
BPTF Q12830 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
GRM5 P41594 1/20 0.42
FYN P06241 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL221242 0.81 KMT2A (0.76) KMT2AMEN1MAPK10GFERADRA2A
SCHEMBL29391624 0.81 KMT2A (0.76) KMT2AMEN1MAPK10GFERADRA2A
Bromide SCHEMBL28368455 0.79 KMT2A (0.73) KMT2AMEN1MAPK10GFERADRA2A
SCHEMBL30947359 0.79 KMT2A (0.73) KMT2AMEN1MAPK10GFERADRA2A
SCHEMBL6175579 0.79 KMT2A (0.73) KMT2AMEN1MAPK10GFERADRA2A
SCHEMBL11133606 0.79 KMT2A (0.73) KMT2AMEN1MAPK10GFERADRA2A
SCHEMBL4243882 0.79 KMT2A (0.73) KMT2AMEN1MAPK10GFERADRA2A
SCHEMBL6175584 0.79 KMT2A (0.73) KMT2AMEN1MAPK10GFERADRA2A
SCHEMBL6574416 0.79 KMT2A (0.73) KMT2AMEN1MAPK10GFERADRA2A
SCHEMBL3038944 0.79 KMT2A (0.73) KMT2AMEN1MAPK10GFERADRA2A

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-4276297-A ANTIULCER AGENTS PFIZER INC. (US) 1981-06-30 US disclosed
US-4276297-A ANTIULCER AGENTS PFIZER INC. (US) 1981-06-30 US disclosed