SCHEMBL6956352

SCHEMBL6956352

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.41
POLB P06746 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
RBP4 P02753 1/20 0.39
TP53 P04637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL6960822 0.90 KMT2A (0.42) MAPTKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL6960317 0.89 RBP4 (0.47) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6965181 0.89 MAPT (0.47) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL8699252 0.89 MAPT (0.44) MAPTKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL6676226 0.88 SETD2 (0.35) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL8699306 0.86 MAPT (0.42) MAPTKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL6966785 0.85 MAPT (0.41) MAPTKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL6960140 0.84 MAPT (0.41) MAPTKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL6960154 0.83 GAA (0.48) MAPTKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL6966760 0.83 MAPT (0.40) MAPTKDM4ESMN1; SMN2KMT2APOLB

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