SCHEMBL7435728

SCHEMBL7435728

CCCC[S+]([O-])c1ccc(NC(=O)CN2CCC(=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ REV1 Q9UBZ9 2/20 0.43
▸ THRB P10828 1/20 0.42
▸ LMNA P02545 1/20 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
SCHEMBL10837614 0.86 SMN1; SMN2 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7435535 0.83 NPC1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7429214 0.80 MEN1 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7435890 0.78 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7426498 0.77 ME2 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7437444 0.77 KMT2A (0.64) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL7438908 0.77 POLB (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7282013 0.76 PRMT1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7434260 0.74 USP2 (0.56) ALDH1A1MEN1KMT2AKDM4EATM
SCHEMBL7434820 0.73 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AKDM4EATM

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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