SCHEMBL7974803

SCHEMBL7974803

[NH]C(=O)CCCc1nnc(-c2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 1/20 0.51

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
SCHEMBL7974806 0.87 NOTUM (0.57) NOTUMHDAC8HDAC3HDAC4HDAC1
SCHEMBL10102734 0.82 HDAC8 (0.65) NOTUMHDAC8HDAC3HDAC4HDAC1
SCHEMBL561946 0.81 NR1H4 (0.69) NOTUMHDAC8RAB9ANPC1KMT2A
SCHEMBL18220915 0.77 HDAC8 (0.58) NOTUMHDAC8HDAC3HDAC4HDAC1
SCHEMBL3863062 0.76 ALDH1A1 (0.59) NOTUMHDAC8HDAC3HDAC4HDAC1
SCHEMBL27745862 0.75 ALDH1A1 (0.65) NOTUMHDAC8HDAC1HDAC2RAB9A
SCHEMBL562313 0.75 ALDH1A1 (0.62) NOTUMHDAC8RAB9ANPC1KMT2A
SCHEMBL6743731 0.74 ALDH1A1 (0.56) NOTUMHDAC8HDAC3HDAC4HDAC1
SCHEMBL5605408 0.73 NOTUM (0.55) NOTUMHDAC8HDAC3HDAC4HDAC1
SCHEMBL14499470 0.73 NPC1 (0.61) NOTUMHDAC8HDAC3HDAC4HDAC1

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed