SCHEMBL5873436

SCHEMBL5873436

OC(Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
XBP1 P17861 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
HIF1A Q16665 1/20 0.51
KCNA5 P22460 1/20 0.51
LMNA P02545 2/20 0.50
BCL2 P10415 1/20 0.50
CYP19A1 P11511 1/20 0.47
KIF11 P52732 5/20 0.47
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL4747594 0.91 HTT (0.50) HTTSMN1; SMN2NPSR1L3MBTL1MEN1
SCHEMBL4747589 0.85 HTT (0.53) HTTSMN1; SMN2NPSR1L3MBTL1MEN1
SCHEMBL912792 0.85 CYP2C9 (0.67) SMN1; SMN2MEN1MAPK1KMT2ACYP1A2
Phosphine SCHEMBL11171774 0.83 CYP2C9 (0.64) SMN1; SMN2MEN1MAPK1KMT2ACYP1A2
SCHEMBL3836889 0.81 KMT2A (0.53) HTTSMN1; SMN2NPSR1L3MBTL1MEN1
SCHEMBL11364794 0.77 MEN1 (0.47) HTTSMN1; SMN2NPSR1L3MBTL1MEN1
SCHEMBL7020533 0.76 CYP19A1 (0.56) HTTSMN1; SMN2NPSR1L3MBTL1MEN1
SCHEMBL8477408 0.76 CYP2C9 (0.51) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11625992 0.76 BCL2 (0.58) HTTSMN1; SMN2NPSR1L3MBTL1MEN1
SCHEMBL5347146 0.76 CYP2C9 (0.56) SMN1; SMN2L3MBTL1MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US disclosed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US disclosed