SCHEMBL7317032

SCHEMBL7317032

COC(=O)c1ccc(-c2ccc(N3CCN(C4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 4/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
MBTD1 Q05BQ5 1/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
OPRL1 P41146 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL6134010 0.96 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHRH3ESR1
SCHEMBL6132410 0.93 MEN1 (0.49) ALDH1A1MEN1KMT2AHRH3ESR1
SCHEMBL6132406 0.93 MEN1 (0.49) ALDH1A1MEN1KMT2AHRH3ESR1
SCHEMBL6134631 0.90 HDAC3 (0.50) ALDH1A1MEN1KMT2AHRH3ESR1
SCHEMBL6134442 0.89 HRH3 (0.55) ALDH1A1MEN1KMT2AHRH3ESR1
SCHEMBL6134695 0.89 KMT2A (0.53) ALDH1A1MEN1KMT2AMBTD1TP53BP1
SCHEMBL6134606 0.89 KMT2A (0.53) ALDH1A1MEN1KMT2AMBTD1TP53BP1
SCHEMBL6134608 0.89 KMT2A (0.53) ALDH1A1MEN1KMT2AMBTD1TP53BP1
SCHEMBL6134989 0.89 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHRH3ESR1
SCHEMBL6132317 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMBTD1TP53BP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed