SCHEMBL6625941

SCHEMBL6625941

Nc1ccc(C=O)c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
TLR9 Q9NR96 2/20 0.46
ATM Q13315 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
NPC1 O15118 6/20 0.42
ALDH1A1 P00352 6/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.42
HSD17B10 Q99714 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 3/20 0.41
PTPRC P08575 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL11681163 0.84 PELI1 (0.50) KMT2ATLR9ATMPTGDR2NPC1
SCHEMBL9472294 0.80 MEN1 (0.47) KMT2AATMNPC1ALDH1A1RAB9A
SCHEMBL2569623 0.79 PELI1 (0.46) KMT2ATLR9ATMPTGDR2NPC1
SCHEMBL9058049 0.79 ERN1 (0.39) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL31717974 0.79 KMT2A (0.50) KMT2ANPC1ALDH1A1RAB9ATDP1
SCHEMBL27770215 0.79 LOXL2 (0.45) ALDH1A1TDP1CYP3A4TSHRTAAR1
SCHEMBL27884045 0.79 NOS3 (0.40) ALDH1A1SMN1; SMN2CYP3A4TAAR1
SCHEMBL10494663 0.78 ALDH1A1 (0.50) KMT2ANPC1ALDH1A1RAB9ATDP1
SCHEMBL30600413 0.78 ALDH1A1 (0.50) KMT2ANPC1ALDH1A1RAB9ATDP1
SCHEMBL224642 0.77 XDH (0.51) KMT2ANPC1ALDH1A1RAB9ATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed