SCHEMBL30756705

SCHEMBL30756705

CC(C)[Si](OCCOc1ccc(Br)cc1Cl)(C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 7/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 4/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8420493 0.78 KDM4E (0.60) S1PR4TSHRMEN1KMT2ANPSR1
SCHEMBL2429174 0.78 TSHR (0.47) S1PR4TSHRMEN1KMT2ANPSR1
SCHEMBL31437826 0.78 KDM4E (0.60) S1PR4TSHRMEN1KMT2ANPSR1
SCHEMBL11649440 0.76 CSNK2A1 (0.60) S1PR4TSHRMEN1KMT2ANPSR1
SCHEMBL7922054 0.75 KDM4E (0.56) S1PR4TSHRMEN1KMT2ANPSR1
SCHEMBL25216222 0.75 HTR2A (0.35) TSHRMEN1KMT2ANPSR1KDM4E
SCHEMBL18704576 0.74 KDM4E (0.57) S1PR4TSHRMEN1KMT2ANPSR1
SCHEMBL6172282 0.74 KDM4E (0.44) S1PR4MEN1KMT2AKDM4EMAPT
SCHEMBL5880864 0.74 TSHR (0.57) S1PR4TSHRMEN1KMT2ANPSR1
SCHEMBL2617363 0.74 KDM4E (0.55) S1PR4TSHRMEN1KMT2ANPSR1

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
CN-117616013-A Hydrogenated quinoxalines 大塚制药株式会社 2024-02-27 CN disclosed