SCHEMBL5517693

SCHEMBL5517693

C=C(CNC(C)=O)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 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
SCHEMBL6018459 0.79 NAPRT (0.61) NAPRTHSD17B10NPC1RAB9AMAPT
SCHEMBL15661401 0.79 MAPT (0.53) NAPRTHSD17B10NPC1RAB9AMAPT
SCHEMBL5176170 0.77 SMN1; SMN2 (0.50) NAPRTHSD17B10NPC1RAB9AMAPT
SCHEMBL10204717 0.77 SMN1; SMN2 (0.50) NAPRTHSD17B10NPC1RAB9AMAPT
SCHEMBL219147 0.76 KDM4E (0.66) NAPRTHSD17B10NPC1RAB9AMAPT
SCHEMBL5152326 0.75 MTNR1A (0.56) MAPTKMT2ASMN1; SMN2GAAKDM4E
SCHEMBL15650174 0.75 GAA (0.51) NAPRTHSD17B10MAPTKMT2APOLB
SCHEMBL11133832 0.75 SMN1; SMN2 (0.48) NAPRTHSD17B10NPC1RAB9AMAPT
SCHEMBL5043930 0.75 LMNA (0.48) NAPRTHSD17B10NPC1RAB9AMAPT
SCHEMBL6206428 0.75 MAPT (0.56) NAPRTHSD17B10NPC1RAB9AMAPT

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
EP-1848463-A2 METHOD OF CONJUGATING AMINOTHIOL CONTAINING MOLECULES TO VEHICLES Amgen Inc. (US) 2007-10-31 EP disclosed
WO-2006079099-A2 METHOD OF CONJUGATING AMINOTHIOL CONTAINING MOLECULES TO A POLYMER AMGEN INC. (US) 2006-07-27 WO disclosed