SCHEMBL11114772

SCHEMBL11114772

CCN(CC)c1ccc(C=CC2CNCC(C=Cc3ccc(N(CC)CC)cc3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.47
▸ ALDH3A1 P30838 1/20 0.47
▸ ALDH1A3 P47895 1/20 0.47
▸ MEN1 O00255 9/20 0.46
▸ KMT2A Q03164 9/20 0.46
▸ MAPT P10636 7/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPK1 P28482 3/20 0.43
▸ RECQL P46063 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ TLR9 Q9NR96 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42

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
SCHEMBL27822012 0.76 ALDH1A1 (0.53) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL8171052 0.72 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL8171054 0.72 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL2298602 0.72 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL2298605 0.72 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL10703642 0.70 ALDH1A1 (0.49) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL21591022 0.69 ALDH1A1 (0.88) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL14283633 0.69 ALDH1A1 (0.65) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL2622619 0.69 ALDH1A1 (0.65) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL10976207 0.68 FGFR1 (0.68) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A

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
EP-0118881-A2 Binder-mixtures for optical recording layers and elements EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-09-19 — — EP disclosed
Send feedback