SCHEMBL24221303

SCHEMBL24221303

OCC(O)CNc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(NCC(O)CO)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(NCC(O)CO)c(F)c4F)c4nc(c(-c5c(F)c(F)c(NCC(O)CO)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.37
▸ TOP1 P11387 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CYCS P99999 2/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL17651774 1.00 TERT (0.37) TERTTOP1CHEK1CDK1CYCS
SCHEMBL17660521 1.00 TERT (0.37) TERTTOP1CHEK1CDK1CYCS
SCHEMBL17660338 0.98 TERT (0.36) TERTTOP1CHEK1CDK1CYCS
SCHEMBL17660399 0.98 TERT (0.36) TERTTOP1CHEK1CDK1CYCS
SCHEMBL24221304 0.96 TERT (0.35) TERTTOP1CHEK1CDK1CYCS
SCHEMBL19855505 0.96 TERT (0.35) TERTTOP1CHEK1CDK1CYCS
SCHEMBL17660462 0.96 TERT (0.35) TERTTOP1CHEK1CDK1CYCS
SCHEMBL19854766 0.94 TERT (0.34) TERTTOP1CHEK1CDK1ABCG2
SCHEMBL24221246 0.93 TERT (0.33) TERTTOP1CHEK1CDK1CYCS
SCHEMBL17651819 0.89 TERT (0.35) TERTTOP1CHEK1CDK1CYCS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3201201-B1 SPECIFICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PHOTODYNAMIC THERAPY BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) 2022-01-26 — — EP disclosed
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