SCHEMBL6960143

SCHEMBL6960143

Cc1nc2ccccc2cc1NC(=S)N1CCN(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
PHGDH O43175 7/20 0.47
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL6966237 0.89 PHGDH (0.56) KMT2AMEN1POLBPHGDH
SCHEMBL6780801 0.86 MAPT (0.47) KMT2AMEN1POLBPHGDHALDH1A1
SCHEMBL6965032 0.86 PHGDH (0.58) KMT2AMEN1POLBPHGDHALDH1A1
SCHEMBL6651512 0.77 PHGDH (0.52) KMT2AMEN1POLBPHGDHALDH1A1
SCHEMBL6961546 0.76 KDM4E (0.48) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL6560454 0.75 PHGDH (0.46) KMT2AMEN1POLBPHGDHALDH1A1
SCHEMBL6652797 0.75 PHGDH (0.55) KMT2AMEN1POLBPHGDHGAA
SCHEMBL6958779 0.75 RBP4 (0.49) KMT2APOLBALDH1A1GAAKDM4E
SCHEMBL6651805 0.74 CYP3A4 (0.47) KMT2AMEN1POLBPHGDHALDH1A1
SCHEMBL6960450 0.74 KDM4E (0.49) KMT2APOLBALDH1A1GAAKDM4E

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