SCHEMBL8612283

SCHEMBL8612283

Brc1ccc(-c2ccc(OCc3ccccc3)cc2)nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.61
GAA P10253 2/20 0.50
ENPP3 O14638 1/20 0.50
ENPP1 P22413 1/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
MCL1 Q07820 3/20 0.49
GSTP1 P09211 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL8615437 0.82 RAB9A (0.57) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8617206 0.80 RAB9A (0.57) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8616576 0.79 RAB9A (0.57) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8615555 0.79 DGAT1 (0.56) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8650385 0.77 CYP1A2 (0.54) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL197017 0.76 LMNA (0.72) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL4651399 0.76 RAB9A (0.50) RAB9ASMN1; SMN2MEN1NPC1KMT2A
SCHEMBL28750517 0.76 KMT2A (1.00) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8616107 0.75 MCL1 (0.60) RAB9ASMN1; SMN2GAAMCL1GSTP1
SCHEMBL7665986 0.75 MCL1 (0.60) RAB9ASMN1; SMN2GAAMCL1GSTP1

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-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed