SCHEMBL6819640

SCHEMBL6819640

CC(C)[Si](OCc1cc(Cl)ccc1-c1cnccn1)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIEZO1 Q92508 2/20 0.38
LIMK1 P53667 5/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
LIMK2 P53671 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 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
SCHEMBL6823195 0.76 PIEZO1 (0.44) PIEZO1ALDH1A1KMT2AMAPTNPC1
SCHEMBL6819312 0.76 PIEZO1 (0.44) PIEZO1ALDH1A1KMT2AMAPTSLC6A2
SCHEMBL6820091 0.75 NOTUM (0.40)
SCHEMBL6074928 0.73 RAB9A (0.48) PIEZO1ALDH1A1KMT2AMAPTNPC1
SCHEMBL6822871 0.71 IDO1 (0.32) KMT2AMAPTSLC6A2SLC6A4SMN1; SMN2
SCHEMBL6818762 0.71 NOS3 (0.40) ALDH1A1TSHRKMT2AMAPTSLC6A2
SCHEMBL5406690 0.70 NOTUM (0.41) PIEZO1CYP2D6NPC1RAB9AKDM4E
SCHEMBL5605178 0.70 IDO1 (0.53) ALDH1A1TSHRKMT2ACYP2D6KDM4E
SCHEMBL6816069 0.69 ENPP2 (0.35) KMT2AMAPTSLC6A2SLC6A4CYP2D6
SCHEMBL27604626 0.69 RAB9A (0.42) PIEZO1ALDH1A1TSHRKMT2AMAPT

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
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed