SCHEMBL6445952

SCHEMBL6445952

CC1=Cc2c(cc(C)n2-c2ccccc2)C1=[Si](C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.38
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MITF O75030 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NOTUM Q6P988 1/20 0.37
CYP1A2 P05177 3/20 0.35
HTT P42858 2/20 0.35
CYP2C9 P11712 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6448191 0.75 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL6455198 0.73 NOTUM (0.36) ALDH1A1SMN1; SMN2NOTUMCYP1A2KDM4E
SCHEMBL6443441 0.67
SCHEMBL6442563 0.64 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10205955 0.62 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL5974667 0.62 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
Hydrochloric Acid SCHEMBL1071449 0.61 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL6442621 0.60 NOTUM (0.36) ALDH1A1SMN1; SMN2NOTUMCYP1A2KDM4E
SCHEMBL5857932 0.60 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9370346 0.60 POLB (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed
US-6949614-B1 Catalyst system BASELL POLYOLEFINE GMBH (DE) 2005-09-27 US disclosed
EP-1272532-B1 SALINE CHEMICAL COMPOSITION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-05-04 EP disclosed
EP-1054914-B1 ZWITTERIONIC, NEUTRAL TRANSITION METAL COMPOUND BASELL POLYOLEFINE GMBH (DE) 2004-03-03 EP disclosed
EP-1175262-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2004-02-18 EP disclosed
EP-1290002-B1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-01-21 EP disclosed