SCHEMBL11236668

SCHEMBL11236668

COc1ccccc1C(=O)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
ALDH1A1 P00352 6/20 0.67
NPC1 O15118 2/20 0.66
SGMS2 Q8NHU3 1/20 0.65
HPGD P15428 4/20 0.64
ATM Q13315 1/20 0.64
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
TAS1R2 Q8TE23 1/20 0.59
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL2542357 0.92 TAS1R3 (0.68) RAB9AL3MBTL1ALDH1A1NPC1ATM
SCHEMBL5482447 0.87 RAB9A (0.56) RAB9AL3MBTL1ALDH1A1NPC1SGMS2
SCHEMBL1753596 0.86 RAB9A (0.55) RAB9AL3MBTL1ALDH1A1NPC1SGMS2
SCHEMBL28688896 0.86 RAB9A (0.61) RAB9AL3MBTL1ALDH1A1NPC1SGMS2
SCHEMBL593297 0.85 HTR4 (0.58) RAB9AL3MBTL1NPC1ATMMEN1
SCHEMBL13081557 0.85 TAS1R3 (0.56) RAB9AL3MBTL1NPC1ATMMEN1
Hydrochloric Acid SCHEMBL594135 0.84 HTR4 (0.57) RAB9AL3MBTL1NPC1ATMMEN1
SCHEMBL16294450 0.84 KMT2A (0.64) RAB9ANPC1MEN1KMT2ATAS1R3
SCHEMBL14597963 0.83 L3MBTL1 (0.65) RAB9AL3MBTL1ALDH1A1NPC1HPGD
SCHEMBL3771747 0.83 KCNK3 (0.63) RAB9AL3MBTL1NPC1KMT2AMAPT

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-1264843-C Pyrazolopyrimidinone derivatives having PDE7 inhibitory action DAIICHI SUNTORY PHARMACEUTICAL (JP) 2006-07-19 CN disclosed
CN-1533392-A Pyrazolopgrimidinone derivatives having PED 7 inhibitory activity ��һ��������ҩ��ʽ���� 2004-09-29 CN disclosed
US-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed