SCHEMBL11645604

SCHEMBL11645604

N#Cc1ccc(Oc2cccc(NC(=O)CN)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
POLB P06746 2/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MITF O75030 1/20 0.56
PFKFB2 O60825 6/20 0.54
PFKFB3 Q16875 6/20 0.54
PFKFB1 P16118 5/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
IL18 Q14116 1/20 0.54
AS3MT Q9HBK9 3/20 0.52
NSD2 O96028 2/20 0.52
DOT1L Q8TEK3 1/20 0.52
FNTA P49354 1/20 0.50

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
SCHEMBL11644978 0.91 MCHR1 (0.56) MAPK1POLBHTTALDH1A1MITF
SCHEMBL11642720 0.87 PFKFB2 (0.60) MAPK1POLBPFKFB2PFKFB3PFKFB1
SCHEMBL11645090 0.86 KMT2A (0.71) MAPK1POLBALDH1A1PFKFB2PFKFB3
SCHEMBL11644514 0.86 ALDH1A1 (0.73) MAPK1POLBHTTALDH1A1MITF
SCHEMBL11644159 0.84 HPGD (0.67) MAPK1POLBHTTALDH1A1MITF
SCHEMBL11648050 0.84 POLB (0.58) MAPK1POLBHTTALDH1A1MITF
SCHEMBL11640199 0.84 TP53 (0.62) MAPK1POLBHTTALDH1A1MITF
SCHEMBL11637623 0.84 POLB (0.62) MAPK1POLBHTTALDH1A1MITF
SCHEMBL31503982 0.82 MEN1 (0.62) MAPK1POLBALDH1A1MEN1MAPT
SCHEMBL11640922 0.82 ALDH1A1 (0.56) MAPK1POLBHTTALDH1A1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088780-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4032655-A PHENYLGUANIDINES USEFUL AS ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-4024176-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed