SCHEMBL8699733

SCHEMBL8699733

COc1nc(C)c(C)cc1NC(=S)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
ATM Q13315 1/20 0.52
MEN1 O00255 5/20 0.52
PHGDH O43175 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL6653315 0.90 PHGDH (0.62) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL6953207 0.82 LMNA (0.52) KMT2AMEN1PHGDHALDH1A1CYP1A2
SCHEMBL9016346 0.82 KMT2A (0.53) KMT2AMEN1PHGDHALDH1A1CYP1A2
SCHEMBL6651537 0.82 CYP3A4 (0.61) KMT2AMEN1PHGDHALDH1A1CYP3A4
SCHEMBL6654161 0.82 PHGDH (0.60) KMT2AMEN1PHGDHALDH1A1CYP1A2
SCHEMBL27556985 0.81 MEN1 (0.63) KMT2AMEN1PHGDHALDH1A1CYP1A2
SCHEMBL6657881 0.81 PHGDH (0.56) KMT2AMEN1PHGDHALDH1A1CYP3A4
SCHEMBL6653829 0.80 KMT2A (0.55) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL8699629 0.80 KDM4E (0.57) KMT2AMEN1PHGDHALDH1A1CYP1A2
SCHEMBL6652129 0.80 PHGDH (0.50) KMT2AMEN1PHGDHALDH1A1CYP1A2

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed