SCHEMBL28058814

SCHEMBL28058814

CCCC1(C)CN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
MC4R P32245 1/20 0.39
AMPD2 Q01433 2/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
ACHE P22303 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL17700194 0.78 GAA (0.53) GAAMEN1TSHRKMT2AELANE
SCHEMBL15594457 0.77 GAA (0.46) GAAMEN1TSHRKMT2AELANE
SCHEMBL28198026 0.73 OPRM1 (0.39) GAAMEN1TSHRKMT2AELANE
SCHEMBL27473522 0.71 GAA (0.51) GAAMEN1TSHRKMT2AELANE
SCHEMBL16400295 0.69 MEN1 (0.39) GAAMEN1TSHRKMT2AELANE
SCHEMBL7570843 0.69 SIGMAR1 (0.53) GAAMEN1TSHRKMT2ASIGMAR1
SCHEMBL27979482 0.69 AMPD2 (0.51) GAAMEN1TSHRKMT2AELANE
SCHEMBL6656563 0.69 GAA (0.45) GAAMEN1TSHRKMT2AELANE
SCHEMBL16400528 0.68 MEN1 (0.38) GAAMEN1TSHRKMT2AELANE
SCHEMBL10990414 0.68 GAA (0.67) GAAMEN1TSHRKMT2AELANE

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-105461651-A An aziridine compound cyclizing method adopting a ketoxime UNIV TAIYUAN TECHNOLOGY 2016-04-06 CN disclosed
CN-105461652-A An aziridine compound cyclizing method adopting an aldoxime UNIV TAIYUAN TECHNOLOGY 2016-04-06 CN disclosed