SCHEMBL6987102

SCHEMBL6987102

O=C(NCc1cccnc1)c1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.72
HPGD P15428 1/20 0.71
TSHR P16473 1/20 0.71
HTT P42858 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 4/20 0.66
LMNA P02545 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
VNN1 O95497 1/20 0.62
RECQL P46063 2/20 0.61
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL6819695 0.84 POLB (0.70) HPGDHTTKMT2AALDH1A1LMNA
SCHEMBL8432202 0.84 USP2 (1.00) USP2HPGDTSHRHTTKMT2A
SCHEMBL12181631 0.83 ALDH1A1 (0.74) HPGDTSHRHTTKMT2AALDH1A1
SCHEMBL29392319 0.83 USP2 (0.77) USP2HPGDTSHRHTTKMT2A
SCHEMBL11625657 0.83 USP2 (0.72) USP2HPGDTSHRHTTKMT2A
SCHEMBL1399530 0.83 USP2 (0.72) USP2HPGDTSHRHTTKMT2A
SCHEMBL13161966 0.83 USP2 (0.72) USP2HPGDTSHRHTTKMT2A
SCHEMBL10686822 0.82 HTT (0.67) USP2HPGDTSHRHTTKMT2A
SCHEMBL10352600 0.82 HPGD (0.73) USP2HPGDTSHRHTTKMT2A
SCHEMBL15966072 0.82 ALDH1A1 (0.76) USP2HPGDTSHRHTTKMT2A

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
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed