SCHEMBL6959643

SCHEMBL6959643

COc1cc(C)c(C(C)=O)cc1NC(=S)N1CCN(c2cc(C)cc(C)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
CYP3A4 P08684 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP2C19 P33261 3/20 0.48
POLB P06746 1/20 0.48
PHGDH O43175 2/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN11 Q06124 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL6962355 0.91 MAPT (0.50) MAPTGAACYP3A4KMT2AMEN1
SCHEMBL6964180 0.91 KMT2A (0.55) MAPTGAACYP3A4KMT2AMEN1
SCHEMBL6961035 0.89 RBP4 (0.49) MAPTGAAKMT2APOLBSMN1; SMN2
SCHEMBL6786898 0.88 CYP3A4 (0.55) MAPTGAACYP3A4KMT2AMEN1
SCHEMBL6955729 0.81 PHGDH (0.51) MAPTGAACYP3A4KMT2AMEN1
SCHEMBL6966490 0.81 KMT2A (0.48) MAPTGAACYP3A4KMT2AMEN1
SCHEMBL6965054 0.80 RBP4 (0.56) MAPTGAAKMT2APOLBSMN1; SMN2
SCHEMBL6967271 0.80 RBP4 (0.51) MAPTGAAKMT2APOLBSMN1; SMN2
SCHEMBL6960488 0.79 PHGDH (0.55) MAPTGAACYP3A4KMT2AMEN1
SCHEMBL6960605 0.78 RBP4 (0.54) MAPTGAAKMT2APOLBPKM

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