SCHEMBL28323959

SCHEMBL28323959

CC(=O)N1CCN(C(=O)n2ccnn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIK3CD O00329 1/20 0.40
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP6 P55212 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL24937177 0.84 ALDH1A1 (0.44) KMT2AMEN1MGLLALDH1A1HPGD
SCHEMBL31170520 0.79 CA2 (0.47) KMT2AHSP90AA1MGLLHPGDHRH3
SCHEMBL4240780 0.79 MEN1 (0.47) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL31170592 0.79 USP2 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL876240 0.77
SCHEMBL5220449 0.77 MGLL (0.38) MGLL
SCHEMBL24937789 0.76 AKR1C3 (0.58) KDM4ESMN1; SMN2CASP6GFERMGLL
SCHEMBL166053 0.76 FOLH1 (0.32)
SCHEMBL24937821 0.75 ALDH1A1 (0.58) KDM4EKMT2AALDH1A1HPGDTSHR
SCHEMBL24937863 0.75 KDM4E (0.48) KDM4EMGLLALDH1A1HPGDHRH3

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-110337245-A The sprout inhibitor and triazole carbamide compound of witchweed lactone acceptor inhibitor, agricultural composition and application thereof, only angle gold seeds 国立大学法人东京大学 2019-10-15 CN disclosed