SCHEMBL3396600

SCHEMBL3396600

Cc1cc(OCC(=O)C(CO)CCN)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.57
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PKM P14618 1/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.46
SENP2 Q9HC62 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 5/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
THRB P10828 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL27819496 1.00 MCL1 (0.57) MCL1KMT2AMEN1PKMNPC1
SCHEMBL3397826 0.78 MCL1 (0.57) MCL1KMT2AMEN1PKMNPC1
SCHEMBL1810263 0.75 MCL1 (0.73) MCL1KMT2AMEN1PKMNPC1
Hydrochloric Acid SCHEMBL3401586 0.74 KMT2A (0.56) MCL1KMT2AMEN1PKMNPC1
Hydrochloric Acid SCHEMBL28128020 0.74 KMT2A (0.56) MCL1KMT2AMEN1PKMNPC1
SCHEMBL7493102 0.73 MCL1 (1.00) MCL1KMT2AMEN1PKMNPC1
SCHEMBL11430655 0.73 MCL1 (0.76) MCL1KMT2AMEN1PKMNPC1
Hydrochloric Acid SCHEMBL11430660 0.72 MCL1 (0.97) MCL1KMT2AMEN1PKMNPC1
SCHEMBL11180561 0.72 KMT2A (0.52) MCL1KMT2AMEN1PKMNPC1
SCHEMBL3402310 0.72 KMT2A (0.67) MCL1KMT2AMEN1PKMNPC1

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-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed