SCHEMBL9480375

SCHEMBL9480375

CCCCCC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)OC)o3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNQ4 P56696 1/20 0.53
KCNQ5 Q9NR82 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
ADA P00813 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ENPP2 Q13822 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
EPHX2 P34913 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
SCHEMBL9806765 0.85 KCNQ3 (0.60) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL9479618 0.78 EPHX2 (0.58) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL9479019 0.78 KDM4E (0.47) NPC1LMNARAB9AALDH1A1NPSR1
SCHEMBL9479236 0.78 KCNQ3 (0.60) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL9479510 0.78 ALDH1A1 (0.51) SMN1; SMN2NPC1LMNARAB9AHDAC3
SCHEMBL9479659 0.76 HDAC3 (0.57) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL9478816 0.75 ADA (0.59) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL9806732 0.74 ADA (0.58) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL9479598 0.74 HDAC3 (0.59) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL9481232 0.74 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
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