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SCHEMBL6275071

SCHEMBL6275071

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(C(C)C)cc5)nc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TYMP P19971 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL442576 0.95 KDM4E (0.38) KDM4ENPC1MAPTRAB9ATAS1R3
SCHEMBL17222397 0.91 KDM4E (0.47) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL2113415 0.85 TAS1R3 (0.40) KDM4ENPC1MAPTRAB9ATAS1R3
SCHEMBL2028468 0.85 ADORA2B (0.38) ADORA3ADORA2BADORA1
SCHEMBL7922128 0.84 KDM4E (0.34) KDM4ETYMP
SCHEMBL6276019 0.83 TYMP (0.40) NPC1MAPTRAB9ATAS1R3TAS1R1
SCHEMBL6930727 0.81 KDM4E (0.38) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL7197818 0.81 KDM4E (0.48) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL12765886 0.81 KDM4E (0.48) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL6929037 0.80 KDM4E (0.38) KDM4ETAS1R3TAS1R1TYMP

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
WO-2005115410-A2 CONTEXT DEPENDENT INHIBITORS OF CYTIDINE DEAMINASES AND USES THEREOF UNIVERSITY OF ROCHESTER (US) 2005-12-08 — — WO disclosed