SCHEMBL5863799

SCHEMBL5863799

NC(=O)OC(C(=O)OCC1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EPHX2 P34913 1/20 0.42
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
CASP3 P42574 2/20 0.38
HTR2A P28223 1/20 0.38
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL30889906 0.86 KMT2A (0.45) KMT2AFABP5FABP7CA1CA2
SCHEMBL30272536 0.86 KMT2A (0.45) KMT2AFABP5FABP7CA1CA2
SCHEMBL15939517 0.86 KMT2A (0.45) KMT2AFABP5FABP7CA1CA2
SCHEMBL755810 0.81 KMT2A (0.45) KMT2AFABP5FABP7CA1CA2
SCHEMBL29362617 0.80 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL113270 0.80 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL30042128 0.80 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
Acetone SCHEMBL7446589 0.79 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2
SCHEMBL28457176 0.79 KMT2A (0.39) KMT2AFABP5FABP7CA1CA2
Ammonia Solution, Strong SCHEMBL16430851 0.79 KMT2A (0.57) KMT2AFABP5FABP7CA1CA2

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-7030118-B2 Pyrrolotriazinone compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed