SCHEMBL9806765

SCHEMBL9806765

CCCCCC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)OC)cc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.60
KCNQ2 O43526 2/20 0.60
KCNQ4 P56696 2/20 0.60
KCNQ5 Q9NR82 2/20 0.60
EPHX2 P34913 3/20 0.52
NR1H4 Q96RI1 2/20 0.52
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL9479618 0.86 EPHX2 (0.58) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL9480375 0.85 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL9479236 0.84 KCNQ3 (0.60) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL10374177 0.84 EPHX2 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL9493566 0.83 EPHX2 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL9479634 0.82 LMNA (0.47) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL9478593 0.80 LMNA (0.47) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL9806732 0.79 ADA (0.58) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL9806769 0.79 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL9479659 0.78 HDAC3 (0.57) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2

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
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed