SCHEMBL14589647

SCHEMBL14589647

CNc1cc(NC)nc(NCCCNc2nc(NC)nc(NC)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DNM2 P50570 7/20 0.37
▸ KCNH3 Q9ULD8 1/20 0.37

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
SCHEMBL13752164 0.85 CA1 (0.43) CA1CA2CA9CYP2C19KCNH3
SCHEMBL11445700 0.81 MAPT (0.50) ESR1MAPTHTR6ALDH1A1CYP3A4
SCHEMBL9913723 0.75 SLC29A1 (0.50) ESR1ESR2CA1CA2CA9
SCHEMBL14869373 0.75 SLC29A1 (0.50) ESR1ESR2CA1CA2CA9
SCHEMBL24433634 0.74 LMNA (0.50) CA1CA2CA9CYP2C19KCNH3
SCHEMBL14869524 0.74 KCNH3 (0.56) MAPTCA1CA2CA9CYP2C19
SCHEMBL21325585 0.72 KCNH3 (0.53) CA1CA2CA9ALDH1A1KCNH3
SCHEMBL9913747 0.71 CYP1A2 (0.50) CA1CA2CA9CYP2C19KCNH3
SCHEMBL9102166 0.70 CYP1A2 (0.53) ESR1ESR2CA1CA2CA9
SCHEMBL14869526 0.70 CYP1A2 (0.53) ESR1ESR2CA1CA2CA9

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
US-20070004594-A1 Heat-sensitive recording material and heat-sensitive recording method FUJI PHOTO FILM CO., LTD. 2007-01-04 — — US disclosed
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