SCHEMBL2914738

SCHEMBL2914738

c1ccc(P(c2ccccc2)c2cc3c(c(-c4cccc5c4CCCC5)c2P(c2ccccc2)c2ccccc2)CCCC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
DRD1 P21728 1/20 0.34
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KCNK2 O95069 1/20 0.30
KCNK10 P57789 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNK18 Q7Z418 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL30664383 1.00 BCL2L1 (0.34) BCL2L1BADDRD1KDM4EPOLB
SCHEMBL2301722 0.83 DRD1 (0.40) BCL2L1BADDRD1KDM4EPOLB
SCHEMBL22471754 0.74 CES1 (0.35) BCL2L1BADDRD1MEN1KMT2A
SCHEMBL29424782 0.74 DRD1 (0.39) BCL2L1BADDRD1TSHRTDP1
SCHEMBL29924184 0.74 DRD1 (0.39) BCL2L1BADDRD1TSHRTDP1
SCHEMBL665033 0.74 DRD1 (0.39) BCL2L1BADDRD1TSHRTDP1
SCHEMBL14822103 0.73 DRD1 (0.33) DRD1
SCHEMBL29424789 0.73 DRD1 (0.31) DRD1
Iodide SCHEMBL9231386 0.72 DRD1 (0.38) BCL2L1BADDRD1TSHRTDP1
SCHEMBL9192628 0.72 DRD1 (0.38) BCL2L1BADDRD1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP disclosed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO disclosed