SCHEMBL7972496

SCHEMBL7972496

N#Cc1ccc(Cn2cncc2CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
FNTA P49354 9/20 0.51
FNTB P49356 8/20 0.51
PGGT1B P53609 7/20 0.51
POLB P06746 2/20 0.50
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NRAS P01111 1/20 0.46
HRAS P01112 1/20 0.46

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
SCHEMBL7830749 0.88 FNTA (0.67) LMNAFNTAFNTBPGGT1BCYP11B1
SCHEMBL7842570 0.87 FNTA (0.63) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL7831554 0.84 POLB (0.60) FNTAFNTBPGGT1BPOLBMEN1
SCHEMBL7839160 0.84 NPSR1 (0.53) NPSR1MAPK1GAAALDH1A1LMNA
SCHEMBL7973979 0.79 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839218 0.79 FNTA (0.65) FNTAFNTBPGGT1BNRASHRAS
Trifluoroacetic Acid SCHEMBL7974573 0.79 FNTA (0.60) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7843273 0.78 FNTA (0.65) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7843356 0.77 FNTA (0.64) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7960853 0.77 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2

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-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed