SCHEMBL7438927

SCHEMBL7438927

CCCCc1csc(NC(=O)CN2CCC(=O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ EGFR P00533 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL7292501 0.86 SIGMAR1 (0.42) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7431631 0.81 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7429214 0.79 MEN1 (0.61) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7288317 0.77 POLB (0.39) ALDH1A1KDM4EPOLBHSD17B10EGFR
SCHEMBL7445738 0.69 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7435890 0.68 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4EALOX15
SCHEMBL7438908 0.67 POLB (0.50) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7438110 0.66 POLB (0.74) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7279134 0.66 CHRM5 (0.46) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7437444 0.66 KMT2A (0.64) MEN1KMT2AALDH1A1KDM4EPOLB

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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