SCHEMBL8632192

SCHEMBL8632192

O=C(Cc1ccccc1Cl)Nc1ccccc1C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.58
KCNJ5 P48544 4/20 0.54
KCNJ3 P48549 4/20 0.54
MAPK8 P45983 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
PTGER4 P35408 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PARP14 Q460N5 1/20 0.51
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KCNJ6 P48051 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL8636686 0.88 MAPK8 (0.67) KCNQ2KCNJ5KCNJ3MAPK8KMT2A
SCHEMBL28600470 0.88 KMT2A (0.66) KCNQ2KCNJ5KCNJ3MAPK8KMT2A
SCHEMBL28600464 0.84 MAPK10 (0.68) KCNQ2MAPK8KMT2AKDM4ESMN1; SMN2
SCHEMBL28618234 0.84 ALDH1A1 (0.54) KCNQ2KCNJ5KCNJ3MAPK8KMT2A
SCHEMBL7724422 0.81 MAPT (0.62) KCNQ2KCNJ5KCNJ3MAPK8KMT2A
SCHEMBL6579874 0.79 KDM4E (0.52) KCNQ2KCNJ5KCNJ3MAPK8KMT2A
SCHEMBL4685295 0.76 KCNJ5 (0.66) KCNJ5KCNJ3MAPK8LMNASMN1; SMN2
SCHEMBL11283610 0.76 ALDH1A1 (0.60) KMT2AMEN1KDM4ELMNAHPGD
SCHEMBL1307889 0.75 MEN1 (0.70) KCNJ5KCNJ3KMT2AMEN1KDM4E
SCHEMBL28118794 0.74 KMT2A (0.56) KMT2AMEN1KDM4ELMNAHPGD

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
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed