SCHEMBL20764181

SCHEMBL20764181

Nc1ccc2[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)O)cc43)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.50
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NGFR P08138 1/20 0.45
SMAD3 P84022 1/20 0.40
ABCB1 P08183 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PIN1 Q13526 1/20 0.40
PDPK1 O15530 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL20764314 0.86 NPC1 (0.40) HRH4NPC1MEN1KMT2ARAB9A
SCHEMBL889826 0.85 KMT2A (0.40) HRH4NPC1MEN1KMT2ARAB9A
SCHEMBL20764323 0.85 HRH4 (0.46) HRH4NPC1MEN1KMT2ARAB9A
SCHEMBL13183210 0.84 RAB9A (0.41) HRH4NPC1MEN1KMT2ARAB9A
SCHEMBL20764331 0.83 NOTUM (0.44) HRH4NPC1MEN1KMT2ARAB9A
SCHEMBL20764184 0.81 NGFR (0.39) HRH4NPC1MEN1KMT2ARAB9A
SCHEMBL887712 0.81 KDM4E (0.43) MEN1KMT2ANGFRSMAD3KDM4E
SCHEMBL14116402 0.80 MEN1 (0.50) HRH4NPC1MEN1KMT2ARAB9A
SCHEMBL532721 0.80 NPC1 (0.38) HRH4NPC1MEN1KMT2ARAB9A
SCHEMBL22048869 0.80 MAPKAPK2 (0.39) HRH4NPC1MEN1KMT2ARAB9A

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
WO-2019036225-A1 DUPLEX STABILIZING FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITECHGROUP, INC. (US) 2019-02-21 WO disclosed