SCHEMBL28864313

SCHEMBL28864313

O=C(c1ccccc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.95

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.95
KDM4E B2RXH2 10/20 0.95
KMT2A Q03164 6/20 0.95
MEN1 O00255 5/20 0.95
TDP1 Q9NUW8 4/20 0.71
ALOX15 P16050 2/20 0.71
MAPT P10636 1/20 0.71
LMNA P02545 3/20 0.71
NPSR1 Q6W5P4 3/20 0.71
TSHR P16473 2/20 0.68
TP53 P04637 1/20 0.65
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.65
ATM Q13315 3/20 0.64
GAA P10253 1/20 0.64
SIGMAR1 Q99720 1/20 0.61
RECQL P46063 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.57

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
SCHEMBL2938460 0.87 KDM4E (0.74) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL20765529 0.82 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2AMEN1ALOX15
SCHEMBL3766736 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL3766741 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL28767825 0.79 PTGDR2 (0.70) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL4779980 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL3456878 0.79 EPHX2 (0.71) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL2959924 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL28864301 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL10293591 0.77 MEN1 (0.59) ALDH1A1KDM4EKMT2AMEN1LMNA

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
CN-115197168-A Preparation method of flumatinib and analogues thereof 江苏豪森药业集团有限公司 2022-10-18 CN disclosed