SCHEMBL13203545

SCHEMBL13203545

CCC(C)NC(=O)c1ccc2nc(-c3ccccc3-c3nc(C)c(C)[nH]3)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ HDAC6 Q9UBN7 8/20 0.53
▸ HDAC3 O15379 5/20 0.53
▸ HDAC1 Q13547 4/20 0.53
▸ HDAC8 Q9BY41 4/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ APLNR P35414 7/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ IKBKB O14920 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13203541 0.90 HDAC6 (0.56) KDM4EMAPTHTTHDAC6HDAC3
SCHEMBL13221011 0.85 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL2964659 0.84 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203552 0.84 HDAC6 (0.54) KDM4EMAPTHDAC6HDAC3HDAC1
SCHEMBL13203549 0.82 HDAC6 (0.53) KDM4EMAPTHDAC6HDAC3HDAC1
SCHEMBL13203544 0.81 HDAC6 (0.52) MAPTHDAC6HDAC3HDAC1HDAC8
SCHEMBL13220946 0.80 BRD4 (0.58) KDM4EHTTHDAC6HDAC3HDAC1
SCHEMBL13221099 0.78 KDM4E (0.41) KDM4EMAPTHTTAPLNRLMNA
SCHEMBL13221021 0.78 HDAC6 (0.52) KDM4EMAPTHDAC6HDAC3HDAC1
SCHEMBL13203579 0.74 HDAC6 (0.55) KDM4EHDAC6HDAC3HDAC1HDAC8

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-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
US-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
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