SCHEMBL2597769

SCHEMBL2597769

O=C(O)C(Cc1ccc(O)cc1)NCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
GPR132 Q9UNW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PTPRA P18433 1/20 0.48
GPR142 Q7Z601 1/20 0.48
MME P08473 2/20 0.47
POLB P06746 2/20 0.47
TPH1 P17752 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL561828 1.00 TSHR (0.51) TSHRSMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL7437113 0.92 TSHR (0.59) TSHRSMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL121371 0.82 MME (0.58) ALDH1A1MME
SCHEMBL6716497 0.82 MME (0.58) ALDH1A1MME
SCHEMBL121370 0.82 MME (0.58) ALDH1A1MME
SCHEMBL11346818 0.82 MME (0.58) ALDH1A1MME
SCHEMBL6065430 0.82 MME (0.58) ALDH1A1MME
SCHEMBL2375620 0.82 TSHR (0.57) TSHRSMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL2375614 0.82 TSHR (0.57) TSHRSMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL28030840 0.80 SMN1; SMN2 (0.54) TSHRSMN1; SMN2CYP1A2CYP2D6MAPT

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-3047274-A2 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS Ohmx Corporation (US) 2016-07-27 EP disclosed
WO-2015042493-A2 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS OHMX CORPORATION (US) 2015-03-26 WO disclosed
EP-2571997-A2 ENZYMATIC ACTIVITY OF PSA AS DIAGNOSTIC MARKER FOR PROSTATE CANCER Ohmx Corporation (US) 2013-03-27 EP disclosed
WO-2011146143-A2 DETECTION OF CANCER BY ASSAYING PSA ENZYMATIC ACTIVITY OHMX CORPORATION (US) 2011-11-24 WO disclosed