SCHEMBL6903067

SCHEMBL6903067

CCc1ccc(-c2cccc3c2C=C(c2ccccn2)C3[Zr]C2C(c3ccccn3)=Cc3c(-c4ccc(CC)cc4)cccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
F2 P00734 1/20 0.33
F12 P00748 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
GRM5 P41594 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
SYK P43405 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6895444 0.92 CYP1A2 (0.34) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6902437 0.90 BRS3 (0.38) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL6904267 0.88 CYP1A2 (0.36) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL6903610 0.88 PKM (0.40) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL6895367 0.88 TGFBR1 (0.38) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL6901820 0.86 PKM (0.32) NPC1MAPTRAB9ASMN1; SMN2GRM5
SCHEMBL6901735 0.86 ALDH1A1 (0.33) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL6902406 0.85 TGFBR1 (0.39) NPC1MAPTRAB9ATSHRTDP1
SCHEMBL6900002 0.85 TRPV1 (0.39) NPC1MAPTRAB9AS1PR1KDM4E
SCHEMBL6901825 0.84 ALDH1A1 (0.34) NPC1MAPTRAB9ASMN1; SMN2EDNRB

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