SCHEMBL4968034

SCHEMBL4968034

N#Cc1ccc(C(=O)Nc2ccccc2-c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.55
DEGS1 O15121 2/20 0.54
RXFP1 Q9HBX9 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
MMP3 P08254 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
DHODH Q02127 1/20 0.47
CHRM3 P20309 1/20 0.46
MAPT P10636 1/20 0.45
ESR2 Q92731 1/20 0.45
POLB P06746 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 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
SCHEMBL8417469 0.82 MMP1 (0.65) MMP1RXFP1KMT2ANPC1RAB9A
SCHEMBL9551853 0.80 CHRM3 (0.48) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL13053952 0.78 NPC1 (0.48) MMP1RXFP1KMT2ANPC1RAB9A
SCHEMBL8623142 0.77 DHODH (0.68) MMP1RXFP1KMT2ANPC1RAB9A
SCHEMBL6800698 0.76 MLYCD (0.68) DEGS1KMT2ANPC1RAB9AMEN1
SCHEMBL7272760 0.76 MLYCD (0.68) DEGS1KMT2ANPC1RAB9AMEN1
SCHEMBL6163176 0.76 MAPT (0.56) KMT2ARAB9AMEN1ALDH1A1LMNA
SCHEMBL13053957 0.76 NPC1 (0.46) MMP1DEGS1RXFP1KMT2ANPC1
SCHEMBL3753090 0.76 HDAC1 (0.68) MMP1KMT2ANPC1RAB9AMEN1
SCHEMBL28904178 0.76 RAB9A (0.65) MMP1RXFP1KMT2ANPC1RAB9A

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-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP claimed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 WO claimed