SCHEMBL6898070

SCHEMBL6898070

CC(C)c1cccc2c1C=C([Zr]C1=Cc3c(C(C)C)cccc3C1c1ccccn1)C2c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 1/20 0.32
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CASP1 P29466 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
Hydrochloric Acid SCHEMBL6901091 0.82 ALDH1A1 (0.35) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6897517 0.81 TGFBR1 (0.36) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6898677 0.79 ALDH1A1 (0.35) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6901795 0.79 ALDH1A1 (0.38) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6897781 0.77 ALDH1A1 (0.42) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6902574 0.76 SYK (0.40) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6904488 0.75 KMT2A (0.34) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6903739 0.74 ALDH1A1 (0.39) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6904106 0.74 ALDH1A1 (0.37) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL6900112 0.74 ALDH1A1 (0.42) ALDH1A1NPC1MAPTRAB9AKMT2A

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
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 claimed