SCHEMBL6966237

SCHEMBL6966237

Cc1cc(C)cc(N2CCN(C(=S)Nc3cc4ccccc4nc3C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 12/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6960143 0.89 KMT2A (0.48) PHGDHMEN1KMT2APOLB
SCHEMBL6965032 0.88 PHGDH (0.58) PHGDHMEN1KMT2APOLBPKM
SCHEMBL6651512 0.87 PHGDH (0.52) PHGDHMEN1KMT2APOLBPKM
SCHEMBL6961546 0.86 KDM4E (0.48) MEN1KMT2APOLBPKMCYP3A4
SCHEMBL6652797 0.77 PHGDH (0.55) PHGDHMEN1KMT2APOLBPKM
SCHEMBL6958779 0.76 RBP4 (0.49) KMT2APOLBPKM
SCHEMBL6562659 0.76 PHGDH (0.54) PHGDHMEN1KMT2APOLBPKM
SCHEMBL6780801 0.75 MAPT (0.47) PHGDHMEN1KMT2APOLBCYP3A4
SCHEMBL6960635 0.75 PHGDH (0.54) PHGDHMEN1KMT2APOLBCYP3A4
SCHEMBL6956583 0.75 KMT2A (0.53) PHGDHKMT2APOLB

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