SCHEMBL20172428

SCHEMBL20172428

Cc1ccc(Oc2ccc(C)nc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
TPO P07202 1/20 0.46
EPX P11678 1/20 0.46
LPO P22079 1/20 0.46
SLC6A4 P31645 3/20 0.42
HTR2A P28223 2/20 0.42
KCNH2 Q12809 2/20 0.42
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
CHEK2 O96017 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL4799461 0.84 MPO (0.44) MPOTPOEPXLPOSLC6A4
SCHEMBL159190 0.84 MPO (0.51) MPOTPOEPXLPOSLC6A4
SCHEMBL11961092 0.83 ERBB2 (0.49) KCNH2MAPTL3MBTL1RAB9AKMT2A
SCHEMBL12855074 0.82 ACACB (0.44) MPOTPOEPXLPOSLC6A4
SCHEMBL2736376 0.82 MPO (0.42) MPOTPOEPXLPOMAPT
SCHEMBL12851586 0.82 CYP2C19 (0.46) MPOTPOEPXLPOL3MBTL1
SCHEMBL875575 0.81 TTR (0.45) MPOTPOEPXLPOMAPT
SCHEMBL875619 0.81 TTR (0.46) MPOTPOEPXLPOMAPT
SCHEMBL11420788 0.81 HTR2A (0.50) SLC6A4HTR2AKCNH2MAPTL3MBTL1
SCHEMBL11415800 0.80 SLC6A2 (0.50) MPOTPOEPXLPOSLC6A4

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-2680850-B1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS INC (US) 2018-05-23 EP disclosed