SCHEMBL7202421

SCHEMBL7202421

C1=CC(c2nc(C3C=CCCC3)nc(C3C=CCCC3)n2)CCC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL10990208 0.80 KDM4E (0.31) KDM4E
SCHEMBL19557830 0.80 PDE5A (0.31)
SCHEMBL7532563 0.79
SCHEMBL11362914 0.70 CYP1A2 (0.41)
SCHEMBL28364603 0.70
SCHEMBL24027509 0.69
SCHEMBL21531502 0.68 CYP2C19 (0.39) ALDH1A1
SCHEMBL1052889 0.68 CYP2C19 (0.39) ALDH1A1
SCHEMBL18304604 0.68 CYP2C19 (0.39) ALDH1A1
SCHEMBL18304578 0.68 MEN1 (0.34)

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