SCHEMBL6904488

SCHEMBL6904488

CCC(C)c1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(C(C)CC)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GPR88 Q9GZN0 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
SCHEMBL6897517 0.89 TGFBR1 (0.36) KMT2AALDH1A1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL6904678 0.85 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6900259 0.85 NPC1 (0.36) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL6902574 0.83 SYK (0.40) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6897781 0.83 ALDH1A1 (0.42) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL6902715 0.83 GPR88 (0.38) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL6904106 0.81 ALDH1A1 (0.37) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL6901173 0.81 BRS3 (0.36) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL6899133 0.81 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6903050 0.80 HTR2A (0.38) KMT2AMEN1ALDH1A1NPC1RAB9A

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