SCHEMBL7654782

SCHEMBL7654782

Nc1cc(F)cc2c1C(=O)C(NC(=O)C(F)(F)F)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CRBN Q96SW2 4/20 0.31
TRPV1 Q8NER1 1/20 0.31
PPIB P23284 1/20 0.31
PPIA P62937 1/20 0.31
PPID Q08752 1/20 0.31
PIN1 Q13526 1/20 0.31
RIPK1 Q13546 3/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL26155089 0.85 CA12 (0.41) KDM4ELMNARAB9A
SCHEMBL7657382 0.79 CRBN (0.34) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL26471261 0.77 LMNA (0.34) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL7652983 0.77 LMNA (0.34) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL7662257 0.76 HTT (0.37) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL6952434 0.72 HTT (0.39) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL6954827 0.72 HTT (0.39) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL30841586 0.70 CA12 (0.42) KDM4ELMNARAB9A
SCHEMBL8075935 0.70 RAB9A (0.39) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL8075930 0.70 RAB9A (0.39) KDM4EALDH1A1HTTNCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407115-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS; SIDE EFFECT REDUCTION, WATER SOLUBILITY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-18 US disclosed
US-5834476-A DERIVATIVE OF CAMPTOTHECIN, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5770605-A Method for treating leukemia with a hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-23 US disclosed
US-5658920-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5637770-A Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-10 US disclosed
EP-0495432-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1996-05-29 EP disclosed
EP-0495432-A1 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed