SCHEMBL7446265

SCHEMBL7446265

CCOc1cccc(OCC)c1NC(=O)CN1CCC(=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.52
ALDH1A1 P00352 5/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
UBE2N P61088 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL7289962 0.85 TDP1 (0.56) TDP1MEN1KMT2ALMNAALDH1A1
SCHEMBL7435500 0.80 ALDH1A1 (0.57) TDP1MEN1KMT2ALMNAALDH1A1
SCHEMBL7434236 0.77 KDM4E (0.63) TDP1MEN1KMT2ALMNAALDH1A1
SCHEMBL7291950 0.75 CYP3A4 (0.80) TDP1MEN1KMT2ALMNAALDH1A1
SCHEMBL7444027 0.73 KDM4E (0.61) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL11147641 0.73 GAA (0.51) KMT2ALMNAALDH1A1CYP2C19KDM4E
SCHEMBL7434820 0.72 ALDH1A1 (0.68) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL7438110 0.71 POLB (0.74) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL18998184 0.71 RAB9A (0.53) MEN1KMT2AALDH1A1RAB9A
SCHEMBL11847704 0.71 ALDH1A1 (0.55) MEN1KMT2ALMNAALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed