SCHEMBL5209754

SCHEMBL5209754

O=C(O)CCCSc1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
HSP90AA1 P07900 2/20 0.53
KCNH2 Q12809 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SDCBP O00560 1/20 0.49
SDC2 P34741 1/20 0.49
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46

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
SCHEMBL3007532 0.89 HSP90AA1 (0.60) ALDH1A1HSP90AA1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL416482 0.83 ALDH1A1 (0.72) ALDH1A1HSP90AA1KCNH2SMN1; SMN2RAB9A
SCHEMBL1932191 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2RAB9ANPC1HDAC3
SCHEMBL12471231 0.82 HDAC1 (0.65) ALDH1A1HSP90AA1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL414504 0.81 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2L3MBTL1POLBRAB9A
SCHEMBL414617 0.81 ALDH1A1 (0.70) ALDH1A1L3MBTL1SDCBPSDC2POLB
SCHEMBL417732 0.81 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL12471416 0.80 HPGD (0.54) ALDH1A1HSP90AA1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL6191672 0.80 ALDH1A1 (0.67) ALDH1A1HSP90AA1SMN1; SMN2RAB9AHDAC3
SCHEMBL10595686 0.80 SMN1; SMN2 (0.48) ALDH1A1HSP90AA1KCNH2SMN1; SMN2L3MBTL1

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 13 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
CN-1282243-A Pharmaceutical composition containing anilide derivative for antagonizing CCR5 TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN disclosed
CN-1282326-A Anilide derivative, process for producing the same, and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN 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
US-4086240-A 1-Thiazolyl-5-phenoxy and phenylthioalkanoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 US disclosed
US-4053480-A 1-THIADIAZOLYL-5-PHENOXY- AND PHENYLTHIOALKANOYLOXY IMIDAZOLIDINONES VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed