SCHEMBL7344872

SCHEMBL7344872

Cc1cc(OCC(N)=O)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CBX7 O95931 1/20 0.46
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
MAPK10 P53779 1/20 0.44
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 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
SCHEMBL6838793 0.86 MCL1 (0.66) MCL1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1478030 0.86 ATM (0.58) MCL1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL30601983 0.86 ATM (0.58) MCL1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL19317367 0.83 ALDH1A1 (0.53) MCL1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL30876366 0.83 ALDH1A1 (0.53) MCL1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL7343296 0.82 SMN1; SMN2 (0.53) MCL1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL7350848 0.82 SMN1; SMN2 (0.52) ALDH1A1HPGDMAPK1KDM4ELMNA
SCHEMBL7447346 0.82 GAA (0.56) MCL1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL1810263 0.81 MCL1 (0.73) MCL1ALDH1A1MAPK1KDM4ELMNA
Hydrochloric Acid SCHEMBL8323913 0.81 GAA (0.55) MCL1ALDH1A1HSD17B10HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932582-A Fibrinogen receptor antagonist prodrugs MERCK & CO., INC. (US) 1999-08-03 US disclosed
EP-0912513-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000401-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO disclosed