SCHEMBL6505666

SCHEMBL6505666

NCC(O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
DPP4 P27487 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
KEAP1 Q14145 1/20 0.37
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ANPEP P15144 1/20 0.34
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
ALDH2 P05091 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL6289109 0.78 USP2 (0.44) USP2SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL7215580 0.77
SCHEMBL29004067 0.77
SCHEMBL1742213 0.76 USP2 (0.43) USP2SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL3176857 0.76 ALDH1A1 (0.47) USP2SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL24134587 0.76 USP2 (0.43) USP2SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL4634682 0.76 USP2 (0.43) USP2DPP4SMN1; SMN2KDM4EALDH1A1
SCHEMBL27793306 0.76 USP2 (0.39) USP2DPP4SMN1; SMN2KEAP1KDM4E
SCHEMBL31298228 0.75 MEN1 (0.39) SMN1; SMN2KDM4EKMT2AMAPTLMNA
SCHEMBL27093605 0.75 DPP4 (0.43) USP2DPP4SMN1; SMN2KEAP1KDM4E

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-111105879-A Probabilistic identification model for breast cancer prognosis generated by deep machine learning 张培森 2020-05-05 CN disclosed
WO-2005066190-A1 NEW RISEDRONATE SALTS HEXAL A/S (DK) 2005-07-21 WO disclosed