SCHEMBL3402310

SCHEMBL3402310

Cc1cc(OCC(=O)C[C@H](O)CN)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MCL1 Q07820 1/20 0.59
MEN1 O00255 3/20 0.56
PKM P14618 1/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.48
SENP2 Q9HC62 1/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
THRB P10828 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3397826 0.90 MCL1 (0.57) KMT2ASMN1; SMN2MCL1MEN1PKM
SCHEMBL772522 0.80 KMT2A (1.00) KMT2ASMN1; SMN2MCL1MEN1PKM
SCHEMBL1810263 0.77 MCL1 (0.73) KMT2ASMN1; SMN2MCL1MEN1PKM
SCHEMBL7493102 0.75 MCL1 (1.00) KMT2ASMN1; SMN2MCL1MEN1PKM
SCHEMBL11430655 0.75 MCL1 (0.76) KMT2ASMN1; SMN2MCL1MEN1PKM
Hydrochloric Acid SCHEMBL11430660 0.74 MCL1 (0.97) KMT2ASMN1; SMN2MCL1MEN1PKM
SCHEMBL3396600 0.72 MCL1 (0.57) KMT2ASMN1; SMN2MCL1MEN1PKM
SCHEMBL27819496 0.72 MCL1 (0.57) KMT2ASMN1; SMN2MCL1MEN1PKM
SCHEMBL1195228 0.72 ALDH1A1 (0.65) KMT2ASMN1; SMN2MCL1MEN1PKM
SCHEMBL1195226 0.72 ALDH1A1 (0.65) KMT2ASMN1; SMN2MCL1MEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO claimed
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO disclosed