SCHEMBL6818503

SCHEMBL6818503

O=C(O)N(CC1c2ccccc2-c2ccccc21)C(=O)CCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 3/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PAX8 Q06710 2/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
FABP7 O15540 2/20 0.36
FABP5 Q01469 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL5969982 0.76 FABP5 (0.49) KMT2ATP53FABP7FABP5
SCHEMBL6818500 0.74 ACLY (0.36) POLBFABP7FABP5
SCHEMBL5481836 0.73 HTR2A (0.47) KMT2APOLBHTR2AFABP7FABP5
SCHEMBL29129339 0.73 KMT2A (0.45) ALDH1A1NPC1RAB9AKMT2APOLB
SCHEMBL3740798 0.73 HTR2A (0.39) KMT2APOLBMEN1HTR2AFABP7
SCHEMBL1198306 0.72 HTR2A (0.38) KMT2APOLBHTR2AFABP7FABP5
SCHEMBL25373589 0.70 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL16242267 0.70 KMT2A (0.40) KMT2AHTR2AKDM4EFABP7FABP5
SCHEMBL3660751 0.70 KMT2A (0.43) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL17798400 0.70 HTR2A (0.36) KMT2AHTR2AFABP7FABP5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888543-A4 AZATIDE PEPTIDOMIMETICS SCRIPPS RESEARCH INST (US) 2004-04-07 EP disclosed
US-6664372-B1 Solution phase synthesis on a soluble homopolymer support by reacting tert-butoxycarbonyl-protected aza-amino acids with bis(pentafluorophenyl) carbonate as carbonyl activation element and coupling to support; combinatorial chemistry THE SCRIPPS RESEARCH INSTITUTE 2003-12-16 US disclosed
EP-0888543-A1 AZATIDE PEPTIDOMIMETICS The Scripps Research Institute (US) 1999-01-07 EP disclosed
WO-1997035199-A9 AZATIDE PEPTIDOMIMETICS 1997-12-11 WO disclosed
WO-1997035199-A1 AZATIDE PEPTIDOMIMETICS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-09-25 WO disclosed