SCHEMBL5280099

SCHEMBL5280099

O=C(O)Oc1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
GPBAR1 Q8TDU6 3/20 0.38
ALK Q9UM73 1/20 0.37
SCN9A Q15858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.35
LIPE Q05469 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5111572 0.87 TDP1 (0.51) L3MBTL1LMNAMAPTGPBAR1SCN9A
SCHEMBL5282850 0.85 L3MBTL1 (0.57) L3MBTL1LMNAMAPTGPBAR1TDP1
SCHEMBL5282827 0.84 KMT2A (0.45) L3MBTL1LMNAMAPTALKSCN9A
SCHEMBL5289303 0.81 L3MBTL1 (0.45) L3MBTL1LMNAGPBAR1SCN9ACYP1A2
SCHEMBL5126291 0.81 CYP1A2 (0.56) L3MBTL1LMNAMAPTTDP1CYP1A2
SCHEMBL5280143 0.75 L3MBTL1 (0.61) L3MBTL1LMNAMAPTSCN9ATDP1
SCHEMBL5119039 0.75 TDP1 (0.52) L3MBTL1LMNAMAPTTDP1CYP1A2
SCHEMBL5296867 0.74 CYP1A2 (0.50) L3MBTL1LMNAMAPTALKSCN9A
SCHEMBL5282184 0.74 L3MBTL1 (0.50) L3MBTL1LMNAMAPTTDP1CYP1A2
SCHEMBL5285421 0.73 LMNA (0.41) L3MBTL1LMNAMAPTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866289-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-12-19 EP disclosed
WO-2006097220-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-09-21 WO disclosed