SCHEMBL6958288

SCHEMBL6958288

COc1cc(C)c(C)cc1NC(=S)N1CCN(c2cccc(C)c2C)CC1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.78
MEN1 O00255 2/20 0.78
ALDH1A1 P00352 6/20 0.60
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ATM Q13315 1/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 2/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL6966867 0.88 KMT2A (0.67) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL6956652 0.86 KMT2A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2ATM
SCHEMBL6960069 0.86 KMT2A (0.61) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL6954139 0.85 PKM (0.62) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL6780775 0.84 KMT2A (0.59) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL6954912 0.84 KMT2A (0.58) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL6965642 0.83 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6966620 0.83 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL6961415 0.83 KMT2A (0.57) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL6780561 0.82 MEN1 (0.73) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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