SCHEMBL9019017

SCHEMBL9019017

Nc1ccc2c(c1)C(=O)c1ccc(N)cc1-2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.78
ALDH1A1 P00352 3/20 0.78
RAB9A P51151 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
TSHR P16473 2/20 0.78
TP53 P04637 1/20 0.78
CYP3A4 P08684 1/20 0.78
MAPK1 P28482 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
S100A4 P26447 3/20 0.75
PTPRC P08575 2/20 0.75
MEN1 O00255 1/20 0.75
APAF1 O14727 1/20 0.75
TDP2 O95551 1/20 0.75
NSD2 O96028 1/20 0.75
LMNA P02545 1/20 0.75
PLA2G1B P04054 1/20 0.75
POLB P06746 1/20 0.75
CTSL P07711 1/20 0.75
HPGD P15428 1/20 0.75

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
SCHEMBL31087632 1.00 NPC1 (0.78) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL9019051 0.95 NPC1 (0.77) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL30350052 0.95 NPC1 (0.77) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL3135129 0.95 NPC1 (0.86) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL864582 0.95 NPC1 (0.77) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL28005394 0.92 NPC1 (0.82) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL6938108 0.92 NPC1 (0.74) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL760965 0.91 NPC1 (0.95) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL31615519 0.91 NPC1 (0.95) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL30482647 0.91 NPC1 (0.95) NPC1ALDH1A1RAB9ASMN1; SMN2TSHR

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
JP-8253583-A None JP disclosed
JP-H08253583-A POLYIMIDE RESIN MOLDING FURUKAWA ELECTRIC CO LTD:THE 1996-10-01 JP disclosed
EP-0322586-B1 Photo-receptor for electrophotography KONISHIROKU PHOTO IND (JP) 1994-11-02 EP disclosed
US-4939058-A Durability KONICA CORPORATION (JP) 1990-07-03 US disclosed
EP-0322586-A2 Photo-receptor for electrophotography KONICA CORPORATION (JP) 1989-07-05 EP disclosed