SCHEMBL7094873

SCHEMBL7094873

O=C(Cl)Cl.O=C1CC=Cc2nc3ccccc3cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 7/20 0.35
MAPT P10636 5/20 0.35
HPGD P15428 4/20 0.35
GLA P06280 3/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 8/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
PKM P14618 2/20 0.35
HSD17B10 Q99714 2/20 0.35
IKBKB O14920 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL19291 0.93 NPC1 (0.44) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL11519732 0.93 NPC1 (0.44) RAB9ANPC1ALDH1A1MAPTHPGD
Methane SCHEMBL11523432 0.91 NPC1 (0.42) RAB9ANPC1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL27346450 0.91 NPC1 (0.42) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL6890133 0.91 NPC1 (0.42) RAB9ANPC1ALDH1A1MAPTHPGD
Acetic Acid SCHEMBL10322227 0.90 NPC1 (0.38) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL4674985 0.90 NPC1 (0.41) RAB9ANPC1ALDH1A1MAPTHPGD
Acetic Acid SCHEMBL28015410 0.88 RAB9A (0.36) RAB9ANPC1ALDH1A1MAPTHPGD
Perchlorate SCHEMBL3900229 0.87 RAB9A (0.38) RAB9ANPC1ALDH1A1MAPTHPGD
Anthraquinone SCHEMBL11078992 0.87 NPC1 (0.54) RAB9ANPC1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763580-B1 Aqueous type pigment dispersing agent, composition containing the same and aqueous pigment dispersion TOYO INK MFG CO (JP) 2003-08-13 EP disclosed
US-5854323-A Pigment dispersing agent, composition containing the same, and aqueous pigment dispersion TOYO INK MANUFACTURING CO., LTD. (JP) 1998-12-29 US disclosed
EP-0763580-A2 Aqueous type pigment dispersing agent, composition containing the same and aqueous pigment dispersion TOYO INK MANUFACTURING CO., LTD. (JP) 1997-03-19 EP disclosed