SCHEMBL9750601

SCHEMBL9750601

CC(C)(C)Nc1nc(C(F)(F)F)c(C(=O)O)o1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.32
CCNE1 P24864 4/20 0.32
CDK2 P24941 4/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CCNA2 P20248 1/20 0.30
CCNA1 P78396 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9750532 0.86 TP53 (0.31) TP53
SCHEMBL9750623 0.84 NPC1 (0.35) TP53LMNAHTT
SCHEMBL9750700 0.79 CNR2 (0.35) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9750619 0.79 HDAC4 (0.38) TP53
SCHEMBL9750684 0.77 TP53 (0.36) TP53LMNAHTT
SCHEMBL9750593 0.77 CFTR (0.40) MEN1KMT2A
SCHEMBL25406087 0.73 MEN1 (0.32) MEN1KMT2A
SCHEMBL13366320 0.70 PIM1 (0.33)
SCHEMBL9750631 0.70 CYP1A2 (0.32)
SCHEMBL2145621 0.70 NPC1 (0.50) MEN1KMT2ALMNAHTT

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-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US claimed
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed