SCHEMBL6960739

SCHEMBL6960739

COc1cc(OC)cc(N2CCN(C(=S)Nc3cc(C(C)=O)c(C)nc3OC)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 5/20 0.55
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 5/20 0.48
CYP2C19 P33261 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL6651629 0.92 MAPT (0.57) PHGDHMAPTGAASMN1; SMN2CYP3A4
SCHEMBL6955729 0.91 PHGDH (0.51) PHGDHMAPTGAASMN1; SMN2CYP3A4
SCHEMBL6965181 0.90 MAPT (0.47) PHGDHMAPTGAASMN1; SMN2KMT2A
SCHEMBL7084407 0.87 MAPT (0.53) PHGDHMAPTGAASMN1; SMN2CYP3A4
SCHEMBL6654161 0.86 PHGDH (0.60) PHGDHCYP3A4CYP2C19MEN1KMT2A
SCHEMBL6675916 0.86 PHGDH (0.42) PHGDHMAPTGAASMN1; SMN2CYP3A4
SCHEMBL6653052 0.85 PHGDH (0.56) PHGDHMAPTGAASMN1; SMN2CYP3A4
SCHEMBL6651041 0.83 MAPT (0.52) PHGDHMAPTGAASMN1; SMN2CYP3A4
SCHEMBL6966159 0.82 MAPT (0.46) PHGDHMAPTGAASMN1; SMN2KMT2A
SCHEMBL6961151 0.82 PHGDH (0.55) PHGDHCYP3A4CYP2C19MEN1KMT2A

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