SCHEMBL5209692

SCHEMBL5209692

C[SiH2]OC(O[SiH2]C)C(C)(C)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
KIF11 P52732 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL8894104 0.81 CA1 (0.32) ALDH1A1
SCHEMBL7922086 0.81 ESR1 (0.45) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL9417699 0.78
SCHEMBL17221770 0.77 MGLL (0.41)
SCHEMBL6542934 0.75 SRD5A2 (0.47) MAPTALDH1A1HPGDTDP1MEN1
SCHEMBL14407143 0.70 ALDH1A1 (0.45) MAPTRAB9AALDH1A1NPC1MAPK1
SCHEMBL2202087 0.69 ALDH1A1 (0.52) MAPTRAB9AALDH1A1NPC1MAPK1
SCHEMBL13784437 0.67 ALDH1A1 (0.50) MAPTRAB9AALDH1A1NPC1MAPK1
SCHEMBL10632881 0.64 MAPK1 (0.41) MAPTALDH1A1MAPK1KMT2ACYP3A4
SCHEMBL1729158 0.64 CYP3A4 (0.52) MAPTRAB9AALDH1A1NPC1MAPK1

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
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-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed