SCHEMBL9311451

SCHEMBL9311451

CCCC=CC1CCC(c2cnc(-c3ccc(Cl)cc3)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
HSD17B10 Q99714 2/20 0.38
DRD2 P14416 1/20 0.36
SLC6A3 Q01959 1/20 0.34
HDAC4 P56524 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PROKR1 Q8TCW9 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 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
SCHEMBL9311454 1.00 RAB9A (0.38) RAB9ASMN1; SMN2NPC1HSD17B10DRD2
SCHEMBL8383599 1.00 RAB9A (0.38) RAB9ASMN1; SMN2NPC1HSD17B10DRD2
SCHEMBL8383595 1.00 RAB9A (0.38) RAB9ASMN1; SMN2NPC1HSD17B10DRD2
SCHEMBL9313858 0.90 RAB9A (0.37) RAB9ASMN1; SMN2NPC1HSD17B10DRD2
SCHEMBL8382673 0.90 RAB9A (0.37) RAB9ASMN1; SMN2NPC1HSD17B10DRD2
SCHEMBL9312299 0.87 KDM1A (0.45) SMN1; SMN2DRD2SLC6A3KDM4EPROKR1
SCHEMBL9718525 0.87 KDM1A (0.45) SMN1; SMN2DRD2SLC6A3KDM4EPROKR1
SCHEMBL9718529 0.87 MAPK10 (0.33) RAB9ASMN1; SMN2NPC1HSD17B10SLC6A3
SCHEMBL9312596 0.87 MAPK10 (0.33) RAB9ASMN1; SMN2NPC1HSD17B10SLC6A3
SCHEMBL9312602 0.87 MAPK10 (0.33) RAB9ASMN1; SMN2NPC1HSD17B10SLC6A3

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-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed