SCHEMBL27675121

SCHEMBL27675121

O=C(O)c1cn(C(=O)Nc2ccncc2)c2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SLC6A2 P23975 1/20 0.42
HTR6 P50406 1/20 0.42
HIF1A Q16665 1/20 0.42
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 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 0.91 LMNA (0.51) CHRM1LMNAKDM4EHTR6
SCHEMBL27675247 0.87 NPC1 (0.47) CHRM1LMNAKDM4ENPC1RAB9A
SCHEMBL27693452 0.85 CHRM1 (0.49) CHRM1LMNAKDM4EHTR6NPC1
SCHEMBL27675384 0.85 CHRM1 (0.49) CHRM1LMNAKDM4EHTR6
SCHEMBL28766931 0.85 CHRM1 (0.52) CHRM1LMNAKDM4EHTR6NPC1
SCHEMBL27675219 0.84 MAOB (0.48) CHRM1LMNAKDM4ENPC1RAB9A
SCHEMBL27675213 0.84 HTT (0.46) CHRM1LMNAKDM4EHTR6CAPN1
SCHEMBL27675257 0.83 CHRM1 (0.55) CHRM1LMNAKDM4E
SCHEMBL27693499 0.83 CHRM1 (0.47) CHRM1LMNAKDM4E
SCHEMBL28766934 0.82 CFTR (0.48) CHRM1LMNAKDM4EHTR6

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