SCHEMBL7450815

SCHEMBL7450815

CCCCCCCCN1c2ccccc2N(CCCCCCCC)c2ccccc21.CCN1c2ccccc2N(CC)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 6/20 0.56
CES1 P23141 2/20 0.56
ALDH1A1 P00352 3/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CNR2 P34972 3/20 0.47
CNR1 P21554 1/20 0.47
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
MGLL Q99685 2/20 0.47
FAAH O00519 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 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
SCHEMBL3635173 0.94 CDC25A (0.61) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL30141987 0.94 CDC25A (0.61) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL23890049 0.92 ALDH1A1 (0.49) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL15644072 0.92 ALDH1A1 (0.59) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL25885848 0.82 CDC25A (0.54) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL5323524 0.81 CES1 (0.53) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL29699888 0.80 POLB (0.46) ALDH1A1MEN1KMT2ACNR1MGLL
SCHEMBL2877910 0.80
SCHEMBL474136 0.80 POLB (0.46) ALDH1A1MEN1KMT2ACNR1MGLL
SCHEMBL590887 0.79 ALDH1A1 (0.54) CDC25ACES1ALDH1A1ALDH2ALDH3A1

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-20020126365-A1 Electrochromic device ACREO AB (SE) 2002-09-12 US claimed