SCHEMBL11065022

SCHEMBL11065022

CCC(NC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 1/20 0.44
SLC6A4 P31645 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL18255649 1.00 PNMT (0.49) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL172624 0.87 TAS1R3 (0.48) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL11407610 0.85 PNMT (0.47) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL10217243 0.85 PNMT (0.51) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL18252839 0.85 PNMT (0.47) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL28220660 0.85 HTR2A (0.54) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL19443029 0.85 PNMT (0.51) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL14262202 0.85 PNMT (0.51) PNMTMEN1ALDH1A1CYP1A2POLB
Hydrochloric Acid SCHEMBL19244848 0.84 PNMT (0.50) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL18593504 0.83 PNMT (0.45) PNMTMEN1POLBKMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
US-4435396-A FROM 2-AMINO-5-ACETYLOXAZOLE PFIZER INC. (US) 1984-03-06 US disclosed