SCHEMBL27675161

SCHEMBL27675161

O=C(O)c1cn(C(=O)Nc2ccccc2-c2ccccc2F)c2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RCE1 Q9Y256 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM1 P11229 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CASP3 P42574 1/20 0.38

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
SCHEMBL27675276 0.87 LMNA (0.42) POLBHPGDALDH1A1LMNAEP300
SCHEMBL27991300 0.86 KDM4E (0.43) POLBHPGDALDH1A1HTTL3MBTL1
SCHEMBL28766939 0.86 S1PR1 (0.43) POLBHPGDALDH1A1LMNAKMT2A
SCHEMBL27693564 0.84 EP300 (0.43) POLBHPGDALDH1A1HTTTDP1
SCHEMBL27693515 0.84 CREBBP (0.46) POLBHPGDALDH1A1HTTLMNA
SCHEMBL27675229 0.84 KDM4E (0.45) POLBHPGDALDH1A1L3MBTL1LMNA
SCHEMBL27675331 0.83 CFD (0.41) POLBHPGDALDH1A1LMNAKDM4E
SCHEMBL27693557 0.83 LMNA (0.40) POLBHPGDALDH1A1TDP1L3MBTL1
SCHEMBL27920808 0.82 KDM4E (0.41) POLBHPGDALDH1A1L3MBTL1LMNA
SCHEMBL27693464 0.82 LMNA (0.44) POLBHPGDALDH1A1TDP1L3MBTL1

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
CN-101006076-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2010-09-29 CN disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed