SCHEMBL6960069

SCHEMBL6960069

COc1cc(C)c(C)cc1NC(=S)N1CCN(c2cccc3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
PHGDH O43175 2/20 0.59
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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) KMT2AMEN1PHGDHATMPOLB
SCHEMBL6965687 0.87 RBP4 (0.57) KMT2APOLBALDH1A1LMNAMAPK1
SCHEMBL6956652 0.86 KMT2A (0.61) KMT2AMEN1PHGDHATMPOLB
SCHEMBL6958288 0.86 KMT2A (0.78) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6954139 0.85 PKM (0.62) KMT2AMEN1PHGDHATMPOLB
SCHEMBL6780775 0.84 KMT2A (0.59) KMT2AMEN1PHGDHATMPOLB
SCHEMBL6954912 0.83 KMT2A (0.58) KMT2AMEN1PHGDHATMPOLB
SCHEMBL6966620 0.82 KMT2A (0.60) KMT2AMEN1PHGDHATMPOLB
SCHEMBL6961415 0.82 KMT2A (0.57) KMT2AMEN1PHGDHATMPOLB
SCHEMBL6780561 0.82 MEN1 (0.73) KMT2AMEN1POLBALDH1A1CYP1A2

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 2 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