SCHEMBL7565639

SCHEMBL7565639

CCC(NC(=O)c1cccc2cc3cc(F)ccc3nc12)C(N)C(CC)NC(=O)c1cccc2cc3cc(F)ccc3nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.45
TSHR P16473 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
TACR3 P29371 2/20 0.34
RPS6KB1 P23443 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAD52 P43351 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL7572103 0.92 AOX1 (0.39) AOX1HDAC1HDAC6GAALMNA
SCHEMBL7565766 0.88 AOX1 (0.46) AOX1HDAC1HDAC6LMNATAS1R3
SCHEMBL7566344 0.88 HDAC1 (0.48) AOX1HDAC1HDAC6GAATAS1R3
SCHEMBL7568076 0.87 AOX1 (0.45) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7564414 0.87 AOX1 (0.45) AOX1HDAC1HDAC6GAALMNA
SCHEMBL7565049 0.87 AOX1 (0.45) AOX1HDAC1HDAC6GAALMNA
SCHEMBL7564186 0.86 AOX1 (0.44) AOX1HDAC1HDAC6LMNATAS1R3
SCHEMBL7570917 0.85 AOX1 (0.44) AOX1HDAC1HDAC6TACR3SMN1; SMN2
SCHEMBL7564805 0.85 KDM4E (0.49) AOX1TSHRGAATAS1R3TAS1R1
SCHEMBL7566419 0.85 AOX1 (0.44) AOX1HDAC1HDAC6TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP claimed
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed