SCHEMBL5209600

SCHEMBL5209600

CCOC(=O)C1=Cc2cc(Br)ccc2SC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL7248040 0.87 LMNA (0.38) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL5209272 0.82 ALDH1A1 (0.41) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL9967128 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL3498690 0.75 CA12 (0.39) SMN1; SMN2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL5211708 0.73 KDM4E (0.39) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5209415 0.73 CCR2 (0.43) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL5205301 0.73 GABRA1 (0.39) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL22071065 0.72 ALOX5 (0.46) SMN1; SMN2KDM4EMAPTALDH1A1NPC1
SCHEMBL10325225 0.72 TLR8 (0.53) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL7543301 0.72 GABRG2 (0.43) SMN1; SMN2ALDH1A1KMT2AGABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed