SCHEMBL7438908

SCHEMBL7438908

CCCCSc1ccc(NC(=O)CN2CCC(=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ ATM Q13315 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7292491 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL7431609 0.82 NPC1 (0.51) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL7429214 0.81 MEN1 (0.61) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL7437444 0.79 KMT2A (0.64) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL7435890 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7435728 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL7426498 0.76 ME2 (0.58) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL7288314 0.75 NPC1 (0.61) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7434820 0.75 ALDH1A1 (0.68) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL7439654 0.75 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2ATDP1

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
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