SCHEMBL8740246

SCHEMBL8740246

CC(=NNC(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.81
MEN1 O00255 4/20 0.81
GAA P10253 3/20 0.67
NPSR1 Q6W5P4 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 1/20 0.56
CES2 O00748 1/20 0.54
ALDH1A1 P00352 3/20 0.51
SRD5A2 P31213 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL27692111 0.85 KMT2A (0.75) KMT2AMEN1GAANPSR1LMNA
SCHEMBL8740131 0.84 KMT2A (0.70) KMT2AMEN1GAANPSR1LMNA
SCHEMBL8740128 0.84 KMT2A (0.70) KMT2AMEN1GAANPSR1LMNA
SCHEMBL28323320 0.81 MTOR (0.63) KMT2AMEN1LMNAMAPTCES2
SCHEMBL17044529 0.81 KMT2A (0.70) KMT2AMEN1GAANPSR1LMNA
SCHEMBL17044528 0.81 KMT2A (0.70) KMT2AMEN1GAANPSR1LMNA
SCHEMBL942218 0.81 GAA (0.73) KMT2AMEN1GAANPSR1
Hydrochloric Acid SCHEMBL6513435 0.80 KMT2A (0.68) KMT2AMEN1GAANPSR1LMNA
Hydrochloric Acid SCHEMBL6513430 0.80 KMT2A (0.68) KMT2AMEN1GAANPSR1LMNA
SCHEMBL27178148 0.79 KMT2A (0.67) KMT2AMEN1GAANPSR1LMNA

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-5616789-A CHEMICAL INTERMEDIATE FOR 2-PHENYLPYRIDAZINE HERBICIDE MONSANTO COMPANY (US) 1997-04-01 US claimed