SCHEMBL20686709

SCHEMBL20686709

Cc1ccc(OCc2c(Cl)cccc2N(C)N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.46
L3MBTL1 Q9Y468 6/20 0.43
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 4/20 0.43
NPC1 O15118 2/20 0.43
ATM Q13315 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL20686695 0.89 MRGPRX4 (0.44) MRGPRX4L3MBTL1MAPTRAB9AHPGD
SCHEMBL20686675 0.88 PTGER1 (0.42) MRGPRX4L3MBTL1MAPTRAB9AHPGD
SCHEMBL20686785 0.85 MRGPRX4 (0.41) MRGPRX4L3MBTL1MAPTRAB9AHPGD
SCHEMBL20686707 0.85 MRGPRX4 (0.41) MRGPRX4L3MBTL1MAPTRAB9AHPGD
SCHEMBL20686645 0.85 PTGDR2 (0.40) MRGPRX4L3MBTL1MAPTRAB9AHPGD
SCHEMBL21317962 0.84 CCR5 (0.41) MAPTRAB9ANPC1SMN1; SMN2PTGER1
SCHEMBL20686713 0.82 SMN1; SMN2 (0.45) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL16920896 0.81 MRGPRX4 (0.50) MRGPRX4L3MBTL1MAPTRAB9AHPGD
SCHEMBL20686696 0.78 MRGPRX4 (0.44) MRGPRX4L3MBTL1MAPTRAB9AHPGD
SCHEMBL18749360 0.78 MRGPRX4 (0.49) MRGPRX4L3MBTL1MAPTRAB9AHPGD

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
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed