SCHEMBL6900259

SCHEMBL6900259

CCc1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(CC)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
TLR7 Q9NYK1 1/20 0.31
SYK P43405 2/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
F2 P00734 1/20 0.30
F12 P00748 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 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
SCHEMBL6902715 0.91 GPR88 (0.38) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL6901173 0.89 BRS3 (0.36) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL6903050 0.87 HTR2A (0.38) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL6902574 0.87 SYK (0.40) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL6897781 0.87 ALDH1A1 (0.42) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL6904106 0.85 ALDH1A1 (0.37) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL6904488 0.85 KMT2A (0.34) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL6899133 0.84 ALDH1A1 (0.36) NPC1MAPTRAB9AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6902388 0.84 NPC1 (0.36) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL6897517 0.84 TGFBR1 (0.36) NPC1MAPTRAB9AALDH1A1KMT2A

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