SCHEMBL2233262

SCHEMBL2233262

CC1=C(c2cccc3ccccc23)c2ccccc2C1[Hf](C1C(C)=C(c2cccc3ccccc23)c2ccccc21)[SiH](C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP2 O95551 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
Hydrochloric Acid SCHEMBL2233828 0.99 DHFR (0.35) DHFRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29702380 0.79 BRD4 (0.31) MAPTALDH1A1HTTNPSR1
Hydrochloric Acid SCHEMBL7645646 0.79 MTNR1A (0.35) DHFRMAPTALDH1A1KDM4EHPGD
SCHEMBL8204448 0.75 DHFR (0.34) DHFRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8194753 0.75 GPR3 (0.31)
SCHEMBL2232977 0.74 ALDH1A1 (0.35) DHFRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7252933 0.74 ALDH1A1 (0.38) DHFRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7996886 0.74 ALDH1A1 (0.38) DHFRMAPTNPC1RAB9ASMN1; SMN2
Fluoride Ion SCHEMBL1131273 0.73 KDM4E (0.33) DHFRMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL216563 0.73 ENPP3 (0.33) DHFRMAPTNPC1RAB9ASMN1; SMN2

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-1799726-B1 TRIALKYLALUMINUM TREATED SUPPORTS EXXONMOBIL CHEM PATENTS INC (US) 2011-07-13 EP claimed