SCHEMBL6953207

SCHEMBL6953207

COc1nc(C)c(C)cc1NC(=S)N1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PHGDH O43175 3/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
POLB P06746 3/20 0.49
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL27556985 0.91 MEN1 (0.63) LMNAGAAMAPTALDH1A1PHGDH
SCHEMBL6652129 0.89 PHGDH (0.50) LMNAGAAMAPTALDH1A1PHGDH
SCHEMBL8699629 0.89 KDM4E (0.57) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL9057398 0.88 GAA (0.51) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL6953108 0.88 GAA (0.51) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL7084407 0.88 MAPT (0.53) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL6654161 0.85 PHGDH (0.60) LMNAALDH1A1PHGDHMEN1KMT2A
SCHEMBL6651537 0.85 CYP3A4 (0.61) LMNAALDH1A1PHGDHMEN1KMT2A
SCHEMBL6657881 0.84 PHGDH (0.56) LMNAALDH1A1PHGDHMEN1KMT2A
SCHEMBL27541031 0.84 CYP3A4 (0.52) LMNAALDH1A1PHGDHMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152015-C Piperazine devivatives and process for preparation thereof ������ҩ��ʽ���� 2004-06-02 CN disclosed
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