SCHEMBL8615437

SCHEMBL8615437

Clc1ccc(-c2ccc(OCc3ccccc3)cc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
PRMT5 O14744 4/20 0.52
GAA P10253 3/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
ENPP3 O14638 1/20 0.50
ENPP1 P22413 1/20 0.50
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
SCHEMBL8434880 0.84 BACE1 (0.52) SMN1; SMN2LMNAMAOBMAOABCHE
SCHEMBL8612283 0.82 RAB9A (0.61) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8614763 0.79 RAB9A (0.54) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8612081 0.79 DGAT1 (0.56) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL7528767 0.79 PRMT5 (0.55) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8614184 0.78 PRMT5 (0.54) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL8650385 0.77 CYP1A2 (0.54) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL7373015 0.77 MCL1 (0.55) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL13458074 0.76 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2MEN1NPC1KMT2A
SCHEMBL240423 0.76 RAB9A (0.50) RAB9ASMN1; SMN2MEN1NPC1KMT2A

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 4 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
US-5512207-A Azaaromatic compounds, process for their preparation, and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-30 US 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