SCHEMBL5281064

SCHEMBL5281064

COc1ccccc1NC(CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
ANPEP P15144 1/20 0.46
POLB P06746 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL11588025 0.86 KEAP1 (0.52) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL7424677 0.85 ALDH1A1 (0.57) KMT2AMEN1GAAALDH1A1
SCHEMBL7386258 0.85 ALDH1A1 (0.57) KMT2AMEN1GAAALDH1A1
SCHEMBL28841583 0.80 SMN1; SMN2 (0.55) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL1421427 0.79 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL7561830 0.79 RAB9A (0.47) L3MBTL1GAASMN1; SMN2LMNAMAPT
SCHEMBL1421426 0.79 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL679864 0.79 RAB9A (0.47) L3MBTL1GAASMN1; SMN2LMNAMAPT
SCHEMBL11871062 0.78 GAA (0.49) KMT2AMEN1L3MBTL1GAACYP1A2
SCHEMBL29169656 0.78 KMT2A (0.49) KMT2AMEN1GAACYP1A2CYP3A4

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-6403645-B2 Antidepressant effect of norepinephrine uptake 2 inhibitors and combined medications including them PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-06-11 US claimed
US-20070116643-A1 Novel aryloxypropanamines CONCERT PHARMACEUTICALS INC. (US) 2007-05-24 US disclosed
WO-2007005644-A2 NOVEL ARYLOXYPROPANAMINES CONCERT PHARMACEUTICALS INC. (US) 2007-01-11 WO disclosed