SCHEMBL7202418

SCHEMBL7202418

C1=C(c2nc(C3=CCCCC3)nc(C3=CCCCC3)n2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
PSMB5 P28074 9/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
PSMB1 P20618 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
TYMP P19971 1/20 0.36
ACMSD Q8TDX5 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL20961594 0.81 TDP1 (0.44) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL296554 0.80 TYMP (0.42) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL2105114 0.77 TYMP (0.41) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL21057468 0.77 TYMP (0.41) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL18244171 0.77 TYMP (0.41) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL3502363 0.77 TYMP (0.41) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL3233362 0.77 TYMP (0.41) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL11201526 0.77 TYMP (0.41) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL3233355 0.77 TYMP (0.41) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL3796623 0.77 TYMP (0.41) TDP1PSMB5CASP3SENP8SENP7

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-0863145-B1 Sunscreen compositions HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
EP-0863145-A2 Sunscreen compositions F. HOFFMANN-LA ROCHE AG (CH) 1998-09-09 EP disclosed