SCHEMBL28136124

SCHEMBL28136124

NC(=O)OC1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.49
CASP6 P55212 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
MAPT P10636 9/20 0.47
ALDH1A1 P00352 7/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
GAA P10253 5/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL28006179 0.86 GFER (0.55) GFERCASP6HRH3MAPTALDH1A1
SCHEMBL28631027 0.86 HRH3 (0.47) HRH3MAPTALDH1A1POLBCYP2C9
SCHEMBL26123821 0.86 HRH3 (0.47) HRH3MAPTALDH1A1POLBCYP2C9
SCHEMBL28379144 0.85 POLB (0.52) HRH3MAPTALDH1A1POLBCYP2C9
SCHEMBL23887597 0.82 GFER (0.48) GFERCASP6HRH3MAPTALDH1A1
SCHEMBL29225367 0.82 GFER (0.48) GFERCASP6HRH3MAPTALDH1A1
SCHEMBL28641422 0.81 GFER (0.43) GFERCASP6HRH3MAPTALDH1A1
SCHEMBL11976987 0.81 MAPT (0.69) GFERCASP6HRH3MAPTALDH1A1
SCHEMBL20483697 0.81 HRH3 (0.50) HRH3MAPTPOLBCYP2C9CYP2C19
SCHEMBL23300904 0.81 MAPT (0.69) MAPTALDH1A1LMNAPOLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543143-B A kind of novel FLT3 kinase inhibitor and application thereof 合肥中科普瑞昇生物医药科技有限公司 2019-03-22 CN disclosed
CN-106543143-A New FLT3 kinase inhibitors of one class and application thereof 合肥中科普瑞昇生物医药科技有限公司 2017-03-29 CN disclosed