SCHEMBL809584

SCHEMBL809584

N#CCCN(CCC#N)c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
CYP2A6 P11509 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL20207415 0.83 TSHR (0.40) ALDH1A1TSHRMAPK1HTTUSP2
SCHEMBL7602428 0.83 TSHR (0.40) ALDH1A1TSHRMAPK1HTTUSP2
SCHEMBL18530726 0.79 ALDH1A1 (0.41) PPARGCYP2A6LOXL2ALDH1A1CA12
SCHEMBL16746567 0.79 CA2 (0.43) PPARGCYP2A6LOXL2ALDH1A1CA12
SCHEMBL11054024 0.79 ALDH1A1 (0.44) CYP2A6ALDH1A1TSHRMAPK1HTT
SCHEMBL151232 0.79 CYP2A6 (0.48) PPARGCYP2A6LOXL2ALDH1A1CA12
SCHEMBL10422905 0.79 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1HTTUSP2
SCHEMBL11052250 0.79 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1HTTUSP2
SCHEMBL22620083 0.79 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1HTTUSP2
SCHEMBL2323987 0.78 USP2 (0.53) ALDH1A1TSHRHTTUSP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046104-B1 CIRCUIT CONNECTION MATERIAL, CIRCUIT MEMBER CONNECTING STRUCTURE AND METHOD OF CONNECTING CIRCUIT MEMBER HITACHI CHEMICAL CO LTD (JP) 2012-01-18 EP disclosed
US-20100243303-A1 CIRCUIT CONNECTING MATERIAL, CONNECTION STRUCTURE OF CIRCUIT MEMBER, AND METHOD FOR MANUFACTURING CONNECTION STRUCTURE OF CIRCUIT MEMBER HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-09-30 US disclosed