SCHEMBL6898599

SCHEMBL6898599

CCc1cccc2c1C=C(c1ccccn1)C2[Zr]C1C(c2ccccn2)=Cc2c(CC)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
KDM4E B2RXH2 5/20 0.33
LMNA P02545 4/20 0.33
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33

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
SCHEMBL6903470 0.82 CCR1 (0.37) CCR1CCR5CCR8ALDH1A1
SCHEMBL6903067 0.82 NPC1 (0.34) GRM5KDM4ESMN1; SMN2CYP1A2TDP1
Hydrochloric Acid SCHEMBL6902732 0.82 TRPM8 (0.36) GRM5TRPM8KDM4ELMNATP53
SCHEMBL6901129 0.79 SQOR (0.35) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL6900038 0.79 HTT (0.34) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL6895367 0.77 TGFBR1 (0.38) GRM5KDM4ELMNATP53SMN1; SMN2
SCHEMBL6895444 0.77 CYP1A2 (0.34) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6903610 0.76 PKM (0.40) GRM5KDM4ELMNATP53SMN1; SMN2
SCHEMBL6902437 0.75 BRS3 (0.38) SMN1; SMN2CYP1A2ALDH1A1CYP2D6CYP19A1
SCHEMBL6901735 0.75 ALDH1A1 (0.33) LMNASMN1; SMN2L3MBTL1CYP1A2TDP1

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