SCHEMBL6960140

SCHEMBL6960140

COc1nc(C)c(C(C)O)cc1NC(=O)N1CCN(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
KDM4E B2RXH2 2/20 0.41
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PANK3 Q9H999 2/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
RBP4 P02753 1/20 0.38
TP53 P04637 3/20 0.38
SCN9A Q15858 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6960387 0.90 KMT2A (0.39) MAPTKDM4EPANK3KMT2AGAA
SCHEMBL6955682 0.89 KMT2A (0.45) MAPTHTR1AHTR1DHTR1BSMN1; SMN2
SCHEMBL6964825 0.89 RBP4 (0.45) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL8699252 0.87 MAPT (0.44) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL6674865 0.87 CYP3A4 (0.32) SCN9AHSD17B10
SCHEMBL6966785 0.85 MAPT (0.41) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL6956352 0.84 MAPT (0.44) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL8699306 0.84 MAPT (0.42) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL6953333 0.84 GAA (0.47) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL8088095 0.83 KMT2A (0.40) MAPTKDM4ESMN1; SMN2PANK3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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