SCHEMBL13221099

SCHEMBL13221099

CCC(C)NC(=O)c1ccc2c(c1)NC(c1ccccc1-c1nc(C)c(C)[nH]1)=C=C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ APLNR P35414 3/20 0.36
▸ TP53 P04637 1/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ERCC1 P07992 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33

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
SCHEMBL13220949 0.86 PDK2 (0.34) PAK4
SCHEMBL13203545 0.78 KDM4E (0.59) KDM4EMAPTHTTLMNATDP1
SCHEMBL13221363 0.74 TEK (0.34) KDM4EMAPTHTTNPC1RAB9A
SCHEMBL13203541 0.68 HDAC6 (0.56) KDM4EMAPTHTTAPLNR
SCHEMBL22244600 0.65 APLNR (0.60) RAB9AAPLNR
SCHEMBL13221011 0.64 HDAC6 (0.56) —
SCHEMBL20021990 0.63 RAB9A (0.63) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL13221020 0.62 CSNK1A1 (0.39) KDM4EHTTRAB9AALDH1A1TDP1
SCHEMBL2964659 0.62 HDAC6 (0.60) —
SCHEMBL13203549 0.61 HDAC6 (0.53) KDM4EMAPTALDH1A1MEN1KMT2A

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