SCHEMBL6955729

SCHEMBL6955729

COc1nc(C)c(C(C)=O)cc1NC(=S)N1CCN(c2cc(C)cc(C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 7/20 0.51
CYP3A4 P08684 3/20 0.47
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.45
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL6651041 0.92 MAPT (0.52) PHGDHCYP3A4MEN1PKMKMT2A
SCHEMBL6960739 0.91 PHGDH (0.55) PHGDHCYP3A4MEN1PKMKMT2A
SCHEMBL6960822 0.90 KMT2A (0.42) PHGDHKMT2AMAPTGAASMN1; SMN2
SCHEMBL6657881 0.86 PHGDH (0.56) PHGDHCYP3A4MEN1PKMKMT2A
SCHEMBL6675114 0.86 PHGDH (0.38) PHGDHCYP3A4MEN1PKMKMT2A
SCHEMBL7084407 0.85 MAPT (0.53) PHGDHCYP3A4MEN1PKMKMT2A
SCHEMBL6653887 0.84 PHGDH (0.52) PHGDHCYP3A4MEN1PKMKMT2A
SCHEMBL6653788 0.83 MAPT (0.57) PHGDHCYP3A4MAPTGAACYP2C19
SCHEMBL6651629 0.83 MAPT (0.57) PHGDHCYP3A4MEN1KMT2AMAPT
SCHEMBL6651807 0.82 MAPT (0.48) PHGDHCYP3A4MEN1PKMKMT2A

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