SCHEMBL13190865

SCHEMBL13190865

C=C(NC(C)c1cccc(Oc2ccc(Cl)cc2N)c1)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.42
PTGER4 P35408 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
PTGER2 P43116 2/20 0.39
P2RX4 Q99571 2/20 0.38
NPSR1 Q6W5P4 1/20 0.34
KCNQ3 O43525 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
SCHEMBL2965348 0.77 L3MBTL1 (0.63) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13190827 0.76 L3MBTL1 (0.65) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13125679 0.73 MEN1 (0.46) MEN1KMT2APTGER4LMNAHTT
SCHEMBL6178516 0.73 PTGER4 (0.50) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL6178518 0.73 PTGER4 (0.50) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL359171 0.70 CYP1A2 (0.68) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2808948 0.66 PTGER4 (0.50) MEN1KMT2AMAPTPTGER4LMNA
SCHEMBL2967362 0.66 MAPT (0.72) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13418351 0.66 S1PR3 (0.49) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2962039 0.66 USP2 (0.63) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4

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-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed