SCHEMBL9874152

SCHEMBL9874152

CCC(=CN(C)C)C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 2/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
CTSS P25774 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2R P25116 1/20 0.39
POLQ O75417 1/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL9874146 1.00 LMNA (0.43) LMNAGAACYP11B1CYP11B2CTNNB1
SCHEMBL8745973 0.83 LMNA (0.41) LMNAGAACYP11B1CYP11B2CTNNB1
SCHEMBL9166573 0.80 LMNA (0.43) LMNAGAACYP11B1CYP11B2CTNNB1
SCHEMBL402156 0.79 MEN1 (0.44) LMNAGAACYP11B1CYP11B2POLQ
SCHEMBL402157 0.79 MEN1 (0.44) LMNAGAACYP11B1CYP11B2POLQ
SCHEMBL2307648 0.78 LMNA (0.44) LMNAGAACYP11B1CYP11B2CTNNB1
SCHEMBL2307646 0.78 LMNA (0.44) LMNAGAACYP11B1CYP11B2CTNNB1
SCHEMBL28634751 0.74 LMNA (0.64) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL9874158 0.74 CYP11B1 (0.54) CYP11B1CYP11B2
SCHEMBL13729327 0.73 CES2 (0.53) LMNASMN1; SMN2

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-5022915-A Substituted 2,4-diarylpyrimidines and their use as herbicides ICI AMERICAS INC. (US) 1991-06-11 US disclosed