SCHEMBL6904701

SCHEMBL6904701

[Li]C1=Cc2ccccc2C1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 7/20 0.37
HSD17B10 Q99714 3/20 0.37
CASP1 P29466 2/20 0.36
LMNA P02545 3/20 0.34
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
NOS3 P29474 1/20 0.32

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
SCHEMBL27992832 0.79 ALDH1A1 (0.43) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL28460906 0.79 ALDH1A1 (0.43) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6900112 0.78 ALDH1A1 (0.42) ALDH1A1NPC1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6895486 0.78 ALDH1A1 (0.42) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL7733562 0.76 ALDH1A1 (0.40) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL29213168 0.72 LMNA (0.34) ALDH1A1MAPTKMT2AHSD17B10LMNA
SCHEMBL483646 0.70 ALDH1A1 (0.62) ALDH1A1NPC1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL11680674 0.68 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL7824502 0.68 KDM1A (0.32)
SCHEMBL6897793 0.67 KDM4E (0.45) ALDH1A1NPC1MAPTRAB9AKDM4E

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-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP disclosed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed
EP-1033371-A1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins TARGOR GmbH (DE) 2000-09-06 EP disclosed