SCHEMBL7019929

SCHEMBL7019929

Cc1cc(Nc2ccc(C(C)O)cc2)c(N)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 3/20 0.36
GUSB P08236 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL1624628 0.78 MEN1 (0.43) PARP14MEN1KMT2AMAPK1KDM4E
SCHEMBL18880697 0.78 CYP1A2 (0.56) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL1624553 0.75 PDE4B (0.40) MEN1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL9726830 0.75 ABCG2 (0.49) MEN1KMT2AL3MBTL1KDM4ECYP1A2
SCHEMBL25003855 0.73 IGF1R (0.46) MEN1KMT2AL3MBTL1NPC1CYP1A2
SCHEMBL7169360 0.71 NOS3 (0.43) PARP14MEN1KMT2AL3MBTL1MAPK1
SCHEMBL25003859 0.70 MEN1 (0.42) MEN1KMT2AL3MBTL1MAPK1KDM4E
SCHEMBL3948774 0.70 NR1I2 (0.44) PARP14MEN1KMT2AL3MBTL1MAPK1
SCHEMBL31026410 0.70 KDM4E (0.47) MEN1KMT2AKDM4ENPC1GUSB
SCHEMBL8738417 0.68 HPGD (0.52) MEN1KMT2AL3MBTL1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed