SCHEMBL27419554

SCHEMBL27419554

CC(=O)Oc1ccnnn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
KDM4E B2RXH2 5/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 3/20 0.35
ESR1 P03372 2/20 0.35
ABCB11 O95342 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE4A P27815 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
STAT6 P42226 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HIF1A Q16665 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 3/20 0.33
RAB9A P51151 2/20 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
SCHEMBL29165581 0.82
SCHEMBL8539378 0.80 MEN1 (0.36)
SCHEMBL10665799 0.79 ALDH1A1 (0.38) LMNAKDM4EMAPTHSD17B10RAB9A
SCHEMBL4265728 0.78 LMNA (0.44) LMNAKDM4ECYP3A4TSHRESR1
SCHEMBL27725288 0.77 THRB (0.38) KDM4ECYP3A4MAPTPKMHSD17B10
SCHEMBL29065843 0.77 BCL9 (0.40) LMNAKDM4EMAPTHSD17B10RAB9A
SCHEMBL4264850 0.76 CTDSP1 (0.39) LMNAKDM4ECYP3A4TSHRESR1
SCHEMBL27696080 0.75 KMT2A (0.42) KDM4EPOLBMAPTALDH1A1BLM
Hydrochloric Acid SCHEMBL27803204 0.74 CTDSP1 (0.38) LMNAKDM4ECYP3A4TSHRESR1
SCHEMBL28953936 0.74 KMT2A (0.45) LMNAKDM4ETSHRESR1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1269911-C Active dye compound UNIV OF NORTH CAROLINA (US) 2006-08-16 CN disclosed
CN-1169791-C Novel acetamide derivatives and protease inhibitors �ձ���ҩ��ʽ���� 2004-10-06 CN disclosed
CN-1515630-A Reactive dye compounds �ɴ���������ѧ 2004-07-28 CN disclosed
CN-1115363-C Reactive dye compounds P & G CO (US) 2003-07-23 CN disclosed
CN-1303415-A Reactive dye compounds PROCTER & GAMBLE (US) 2001-07-11 CN disclosed
CN-1303414-A Reactive dye compounds PROCTER & GAMBLE (US) 2001-07-11 CN disclosed
CN-1229405-A Novel acetamide derivatives and protease inhibitors NIPPON KAYAKU KK (JP) 1999-09-22 CN disclosed