SCHEMBL6903050

SCHEMBL6903050

CCCCCCc1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(CCCCCC)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD11B1 P28845 3/20 0.35
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL6901173 0.96 BRS3 (0.36) KMT2AMAPTRAB9AALDH1A1HSD11B1
SCHEMBL6902715 0.92 GPR88 (0.38) HSD17B10KMT2AMAPTRAB9AKDM4E
SCHEMBL6900259 0.87 NPC1 (0.36) HSD17B10KMT2AMAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6902674 0.86 HTR2A (0.38) HTR2ADRD2SLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL6903366 0.82 BRS3 (0.36) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL6897781 0.81 ALDH1A1 (0.42) HSD17B10KMT2AMAPTRAB9AALDH1A1
SCHEMBL6904106 0.80 ALDH1A1 (0.37) KMT2AMAPTRAB9AALDH1A1NPC1
SCHEMBL6904488 0.80 KMT2A (0.34) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL6897517 0.79 TGFBR1 (0.36) KMT2AMAPTRAB9AALDH1A1NPC1
SCHEMBL6904267 0.78 CYP1A2 (0.36) HSD17B10MEN1KMT2AMAPTRAB9A

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