SCHEMBL21844862

SCHEMBL21844862

Cc1cccc(NC(=O)c2cccc(CCN(C)CCO)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ KCNK3 O14649 11/20 0.56
▸ KCNK9 Q9NPC2 8/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ POLB P06746 1/20 0.52
▸ RAB9A P51151 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL20083997 0.87 NPC1 (0.53) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL1696311 0.81 MEN1 (0.70) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL21844847 0.81 TMEM97 (0.52) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL20083991 0.79 GRM4 (0.46) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL15676738 0.79 MEN1 (0.74) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL17052993 0.77 MEN1 (0.72) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL21377635 0.77 KCNK3 (0.77) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL4253897 0.76 KCNK3 (0.93) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL15276891 0.76 LMNA (0.70) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL21844906 0.76 BCHE (0.49) MEN1KMT2AKCNK3KCNK9KCNH2

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
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
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