SCHEMBL8206201

SCHEMBL8206201

COC(=O)C1CCC(C(=O)Nc2sc(C)cc2C(=O)NCc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ACKR3 P25106 1/20 0.45
AKR1B1 P15121 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 3/20 0.41
REV1 Q9UBZ9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL7430376 0.92 ACKR3 (0.48) MAPTACKR3AKR1B1ALDH1A1LMNA
SCHEMBL8207845 0.90 AKR1B1 (0.47) MAPTACKR3AKR1B1ALDH1A1LMNA
SCHEMBL8206839 0.90 MAPT (0.49) MAPTACKR3AKR1B1ALDH1A1LMNA
Bicarbonate SCHEMBL7430381 0.90 POLB (0.48) MAPTACKR3AKR1B1ALDH1A1LMNA
SCHEMBL8207368 0.87 REV1 (0.47) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL7424534 0.83 MAPT (0.47) MAPTACKR3AKR1B1ALDH1A1LMNA
SCHEMBL8206305 0.82 NPC1 (0.48) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL8250085 0.82 REV1 (0.45) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL7420131 0.81 AKR1B1 (0.48) MAPTACKR3AKR1B1ALDH1A1POLB
SCHEMBL8200351 0.81 CNR2 (0.54) MAPTALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed