SCHEMBL8524972

SCHEMBL8524972

O=CCNC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEP1B Q16820 2/20 0.40
MDM2 Q00987 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ATM Q13315 2/20 0.39
EPHX2 P34913 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6204912 0.85 L3MBTL1 (0.50) LMNACES1CES2TDP1L3MBTL1
SCHEMBL11368221 0.84 CYP2D6 (0.47) LMNAATMCYP2D6MEN1MAPK1
SCHEMBL6203337 0.79 TDP1 (0.50) LMNACES1CES2TDP1L3MBTL1
SCHEMBL6201593 0.78 ALDH1A1 (0.54) LMNACES1CES2TDP1L3MBTL1
SCHEMBL6202101 0.78 MEP1B (0.57) LMNACES1CES2TDP1L3MBTL1
SCHEMBL6202507 0.77 SMN1; SMN2 (0.48) LMNACES1CES2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL10525622 0.77 ALDH1A1 (0.52) LMNACES1CES2TDP1L3MBTL1
SCHEMBL6321040 0.75 HAT1 (0.54)
SCHEMBL3127115 0.74 CTSS (0.46) L3MBTL1SMN1; SMN2ATMMEN1MAPT
SCHEMBL23861285 0.73 TDP1 (0.55) LMNACES1CES2TDP1L3MBTL1

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
US-5876956-A INTACT, VIABLE HUMAN PLURIPOTENT HEMATOPOEITIC STEM CELLS ISOLATED BY EXPRESSION OF INTRACELLULAR MARKER, CYTOSOLIC ALDEHYDE DEHYDROGENASE; FOR BONE MARROW TRANSPLANTS JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 1999-03-02 US disclosed
WO-1996036344-A1 INTRACELLULAR MARKER FOR PURIFICATION OF STEM CELLS THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 1996-11-21 WO disclosed