SCHEMBL2737099

SCHEMBL2737099

CCOC(=O)c1ccc(-n2cc(C=N)c3cc(F)c(F)cc32)cc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HTT P42858 1/20 0.42
MYC P01106 2/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL187263 0.82
SCHEMBL12309731 0.77
SCHEMBL9387825 0.72 KMT2A (0.59) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL10472497 0.70 KMT2A (0.59) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL30417213 0.70 KMT2A (0.59) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL10759033 0.69 KMT2A (0.56) MAPTKDM4EKMT2AALDH1A1HTT
SCHEMBL2736783 0.68 MAPT (0.47) MAPTKDM4EKMT2AMEN1USP2
SCHEMBL187075 0.67
SCHEMBL29008029 0.67 KMT2A (0.53) MAPTKDM4EKMT2AALDH1A1HTT
SCHEMBL2736543 0.66

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
EP-2402314-A1 (Aza)indole derivative and use thereof for medical purposes Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-04 EP disclosed