SCHEMBL27675247

SCHEMBL27675247

O=C(O)c1cn(C(=O)Nc2cccnc2)c2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.46
NAMPT P43490 3/20 0.45
GRIN2B Q13224 1/20 0.45
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SORT1 Q99523 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2C P28335 1/20 0.42
CHRM1 P11229 1/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27693487 0.88 LMNA (0.51) HSD17B10LMNASMN1; SMN2KDM4EMEN1
SCHEMBL27675121 0.87 CHRM1 (0.47) NPC1RAB9ALMNAKDM4ECHRM1
SCHEMBL27675146 0.82 KCNQ3 (0.47) LMNAKDM4EALDH1A1CHRM1
SCHEMBL27693567 0.80 CREBBP (0.47) LMNAKDM4EALDH1A1CHRM1GRIK1
SCHEMBL28766931 0.80 CHRM1 (0.52) NPC1LMNAKDM4EMEN1KMT2A
SCHEMBL27675384 0.80 CHRM1 (0.49) HSD17B10GRIN2BLMNASMN1; SMN2KDM4E
SCHEMBL27693452 0.80 CHRM1 (0.49) NPC1NAMPTLMNASMN1; SMN2KDM4E
SCHEMBL27675227 0.79 CFTR (0.48) LMNASMN1; SMN2KDM4EALDH1A1CHRM1
SCHEMBL27675196 0.79 CREBBP (0.52) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL27693586 0.79 MAOB (0.60) NPC1RAB9AGRIN2BLMNAKDM4E

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