SCHEMBL6963709

SCHEMBL6963709

CNc1nc(C)c(C)cc1NC(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 8/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
MAOB P27338 1/20 0.46
IDO1 P14902 1/20 0.46
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.42
THRB P10828 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL6962317 0.87 RAB9A (0.44) KMT2AALDH1A1GAAKDM4EGLA
Benzene SCHEMBL27466605 0.83 ALDH1A1 (0.48) KMT2AALDH1A1GAAKDM4EGLA
SCHEMBL6965290 0.83 ALDH1A1 (0.48) KMT2AALDH1A1GAAKDM4EGLA
SCHEMBL6956305 0.78 ALDH1A1 (0.41) KMT2AALDH1A1GAAKDM4EGLA
SCHEMBL8625610 0.78 ALDH1A1 (0.45) KMT2AALDH1A1GAAKDM4EGLA
SCHEMBL6960305 0.76 GAA (0.56) KMT2AALDH1A1GAAKDM4EGLA
SCHEMBL8177930 0.75 KMT2A (0.71) KMT2AALDH1A1GAAKDM4EGLA
SCHEMBL26633344 0.74 NPC1 (0.57) KMT2AALDH1A1GAAKDM4EGLA
SCHEMBL6954161 0.74 MAOB (0.56) KMT2AALDH1A1GAAKDM4EGLA
SCHEMBL6966103 0.73 POLB (0.56) KMT2AALDH1A1GAAKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152015-C Piperazine devivatives and process for preparation thereof ������ҩ��ʽ���� 2004-06-02 CN disclosed
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed
CN-1196724-A Novel piperazine derivative and process for producing the same SAMJIN PHARM CO LTD (KR) 1998-10-21 CN disclosed
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed