SCHEMBL6959065

SCHEMBL6959065

C(=C/c1ccc2ccccc2n1)\Cn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
KDM4E B2RXH2 6/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
PKM P14618 2/20 0.45
TBXAS1 P24557 2/20 0.45
CYP19A1 P11511 1/20 0.43
PFKFB3 Q16875 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ECE2 P0DPD6 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6959069 1.00 LMNA (0.45) LMNAKDM4ENPC1RAB9APKM
SCHEMBL6954397 0.79 TBXAS1 (0.56) TBXAS1CYP19A1MAPTCYP1A2RELA
SCHEMBL6954390 0.79 TBXAS1 (0.56) TBXAS1CYP19A1MAPTCYP1A2RELA
SCHEMBL8347430 0.74 TBXAS1 (0.68) LMNATBXAS1CYP19A1MAPTMEN1
SCHEMBL8347428 0.74 TBXAS1 (0.68) LMNATBXAS1CYP19A1MAPTMEN1
SCHEMBL7081073 0.74 TLR8 (0.41) KDM4ETBXAS1CYP19A1MEN1KMT2A
SCHEMBL7081070 0.74 TLR8 (0.41) KDM4ETBXAS1CYP19A1MEN1KMT2A
Hydrochloric Acid SCHEMBL28253387 0.73 TBXAS1 (0.69) LMNATBXAS1CYP19A1MAPTCYP1A2
Hydrochloric Acid SCHEMBL9872403 0.72 KDM4E (0.56) LMNAKDM4ENPC1RAB9APKM
Hydrochloric Acid SCHEMBL7283431 0.72 KDM4E (0.56) LMNAKDM4ENPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed