SCHEMBL6963684

SCHEMBL6963684

COc1cc(OC)cc(N2CCN(C(=S)Nc3cc(C(C)O)c(C)cc3OC)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 2/20 0.55
CYP3A4 P08684 4/20 0.53
CYP2C19 P33261 2/20 0.53
PHGDH O43175 1/20 0.52
NPC1 O15118 2/20 0.48
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6966490 0.91 KMT2A (0.48) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6955540 0.89 PHGDH (0.49) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6783848 0.88 KMT2A (0.63) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6965253 0.88 RBP4 (0.49) KMT2APOLBNPC1LMNAGAA
SCHEMBL6961151 0.82 PHGDH (0.55) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6964180 0.81 KMT2A (0.55) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6960712 0.78 RBP4 (0.47) MEN1KMT2APOLBLMNAGAA
SCHEMBL6786898 0.78 CYP3A4 (0.55) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6780561 0.77 MEN1 (0.73) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6782760 0.77 CYP3A4 (0.66) MEN1KMT2APOLBCYP3A4CYP2C19

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