SCHEMBL9019022

SCHEMBL9019022

NC1=CC=C2C(=Cc3ccc(N)cc32)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPRC P08575 2/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
CTSL P07711 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL1032694 0.86 NPC1 (0.39) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL10585877 0.79 ALDH1A1 (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL10828887 0.76 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2TP53CYP3A4
SCHEMBL6653492 0.73 PTPN1 (0.33)
SCHEMBL9019053 0.70 NPC1 (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL9150766 0.69 BACE1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL941733 0.67 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL7225542 0.66 ADORA2A (0.38) PTPRC
SCHEMBL9811013 0.66 PTPN1 (0.37)
SCHEMBL28679867 0.66 MAOA (0.40) LCK

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
JP-8253583-A None JP disclosed
JP-H08253583-A POLYIMIDE RESIN MOLDING FURUKAWA ELECTRIC CO LTD:THE 1996-10-01 JP disclosed