SCHEMBL7435890

SCHEMBL7435890

CCCCS(=O)(=O)c1ccc(NC(=O)CN2CCC(=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7289666 0.86 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APKMUSP2
SCHEMBL7429214 0.83 MEN1 (0.61) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL7434260 0.83 USP2 (0.56) ALDH1A1MEN1KMT2APKMUSP2
SCHEMBL7435084 0.80 USP2 (0.76) ALDH1A1KMT2AUSP2CA1CA2
SCHEMBL7437444 0.78 KMT2A (0.64) ALDH1A1MEN1KMT2ATSHRCA1
SCHEMBL7435728 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL7438908 0.78 POLB (0.50) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL7282808 0.76 PRMT1 (0.62) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL7426498 0.76 ME2 (0.58) ALDH1A1MEN1KMT2APKMATM
SCHEMBL11601090 0.75 ALDH1A1 (0.69) ALDH1A1MEN1KMT2APKMCA1

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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