SCHEMBL8891644

SCHEMBL8891644

COC(=O)c1ccc(OC)c(OCc2ccncc2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
SMPD1 P17405 6/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
KMT2A Q03164 2/20 0.53
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52
CTSK P43235 1/20 0.51
NOX1 Q9Y5S8 2/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL2814873 0.95 SMN1; SMN2 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8889267 0.88 MRGPRX4 (0.64) SMN1; SMN2SMPD1HDAC1HDAC8HDAC6
SCHEMBL2188210 0.86 SMPD1 (0.76) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8890002 0.86 CNR2 (0.64) MAPTCYP3A4CYP2C9SMPD1KMT2A
SCHEMBL28333812 0.85 KMT2A (0.66) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8889352 0.85 ALDH1A1 (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2815273 0.82 MRGPRX4 (0.71) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8292210 0.82 CYP1A2 (0.56) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2063068 0.81 SMN1; SMN2 (0.73) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13413496 0.81 MAPT (0.66) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed