SCHEMBL6965818

SCHEMBL6965818

COc1nc2ccccc2cc1NC(=O)N1CCN(c2cccc(C)c2C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
STS P08842 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
HTR1A P08908 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
SCHEMBL6967897 0.88 KMT2A (0.49) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6952726 0.88 MAPT (0.55) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL8705827 0.87 LMNA (0.61) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL6966945 0.87 MAPT (0.57) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL6962593 0.87 RBP4 (0.61) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL6966427 0.86 KMT2A (0.60) MAPTALDH1A1TSHRMAPK1MEN1
SCHEMBL6955958 0.85 MAPT (0.48) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL7139727 0.84 RBP4 (0.46) MAPTALDH1A1TSHRMAPK1MEN1
SCHEMBL8700061 0.83 MAPT (0.57) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL7139732 0.83 RBP4 (0.43) MAPTALDH1A1TSHRMAPK1MEN1

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