SCHEMBL9790905

SCHEMBL9790905

CCCC(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](C(O)C(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLA1 P09884 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TYMP P19971 2/20 0.40
HINT1 P49773 3/20 0.37
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
PDE9A O76083 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
SCHEMBL7534659 0.90 KDM4E (0.49) ALDH1A1POLA1TAS1R3TAS1R1KDM4E
SCHEMBL2113125 0.90 KDM4E (0.49) ALDH1A1POLA1TAS1R3TAS1R1KDM4E
SCHEMBL2113415 0.89 TAS1R3 (0.40) ALDH1A1MEN1KMT2APOLA1TAS1R3
SCHEMBL9801846 0.87 TYMP (0.41) POLA1TAS1R3TAS1R1KDM4ETYMP
SCHEMBL32677371 0.85 TYMP (0.58) ALDH1A1MEN1KMT2APOLA1TAS1R3
SCHEMBL8574965 0.84 HPGD (0.46) TYMPHINT1TAAR1HPGD
SCHEMBL4553693 0.82 KDM4E (0.51) ALDH1A1MEN1KMT2APOLA1TAS1R3
SCHEMBL9548725 0.81 TYMP (0.58) ALDH1A1TYMPLMNAMAPT
SCHEMBL2113123 0.81 KDM4E (0.50) ALDH1A1MEN1KMT2APOLA1TAS1R3
SCHEMBL2115347 0.80 TAS1R3 (0.54) TAS1R3TAS1R1TYMPHINT1TAAR1

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-5043430-A Process for treating insoluble heterologous protein TOSOH CORPORATION (JP) 1991-08-27 US disclosed