SCHEMBL9750700

SCHEMBL9750700

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.35
CNR1 P21554 10/20 0.35
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SYK P43405 1/20 0.31
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30
TP53 P04637 1/20 0.30
HDAC4 P56524 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
SCHEMBL9750619 0.82 HDAC4 (0.38) TP53HDAC4
SCHEMBL9750684 0.80 TP53 (0.36) TP53HDAC4
SCHEMBL9750601 0.79 CCNE2 (0.32) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL9750532 0.77 TP53 (0.31) TP53
SCHEMBL9750593 0.77 CFTR (0.40) KMT2ANPC1RAB9AHDAC4
SCHEMBL9750623 0.76 NPC1 (0.35) NPC1TP53
SCHEMBL9750615 0.75 KDM4E (0.41) HDAC4
SCHEMBL9750657 0.60 KDM4E (0.43) KMT2AHDAC4
SCHEMBL9119278 0.60 CNR1 (0.55) CNR2CNR1RORCNPC1RAB9A
SCHEMBL9750598 0.59 KDM4E (0.42) KMT2ANPC1RAB9AHDAC4

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