SCHEMBL8233449

SCHEMBL8233449

C=CCOc1cnc(-c2ccc(-c3ncc(/C=C/CCCC(C)OCCCCC)cn3)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
RARB P10826 4/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL8233453 1.00 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051346 0.97 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051342 0.97 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046985 0.96 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046982 0.96 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8053980 0.96 RAB9A (0.43) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8053983 0.96 RAB9A (0.43) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046470 0.91 NPC1 (0.40) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051570 0.91 SRC (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051574 0.91 SRC (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed