SCHEMBL6955958

SCHEMBL6955958

COc1ccc(C)c(N2CCN(C(=O)Nc3cc4ccccc4nc3OC)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.45
FAAH O00519 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
RBP4 P02753 1/20 0.43
HTT P42858 1/20 0.43
CA2 P00918 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
SCHEMBL6961499 0.86 MAPT (0.48) MAPTLMNAALDH1A1MAPK1TSHR
SCHEMBL6965818 0.85 MAPT (0.58) MAPTLMNAALDH1A1MAPK1TSHR
SCHEMBL27467994 0.85 KMT2A (0.64) MAPTLMNAALDH1A1MAPK1TSHR
SCHEMBL6960617 0.85 KMT2A (0.53) MAPTLMNAALDH1A1MAPK1TSHR
SCHEMBL6966945 0.84 MAPT (0.57) MAPTLMNAALDH1A1MAPK1TSHR
SCHEMBL6962593 0.84 RBP4 (0.61) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL6966427 0.83 KMT2A (0.60) MAPTALDH1A1MAPK1TSHRKMT2A
SCHEMBL6967897 0.83 KMT2A (0.49) MAPTALDH1A1MAPK1KMT2AGAA
SCHEMBL7139732 0.83 RBP4 (0.43) MAPTALDH1A1MAPK1TSHRKMT2A
SCHEMBL8701048 0.83 THRB (0.47) MAPTLMNAALDH1A1MAPK1TSHR

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