SCHEMBL14028873

SCHEMBL14028873

COc1ccccc1C(=O)NCC1(c2ccccc2)CCN(S(=O)(=O)N(C)C(=O)CN)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.67
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 1/20 0.61
KCNA3 P22001 16/20 0.58

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
SCHEMBL2470783 0.92 SLC6A9 (0.70) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2468325 0.89 SLC6A9 (0.74) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2469424 0.88 SLC6A9 (0.73) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2471271 0.88 SLC6A9 (0.73) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2467304 0.86 SLC6A9 (0.70) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2470690 0.86 SLC6A9 (0.78) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2468315 0.85 SLC6A9 (0.69) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL14028874 0.85 SLC6A9 (0.60) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2468233 0.85 SLC6A9 (0.68) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2472136 0.85 SLC6A9 (0.68) SLC6A9MEN1KMT2AALDH1A1KCNA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435824-B2 Prodrugs of potassium channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-14 US disclosed
US-7435824-B2 Prodrugs of potassium channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-14 US disclosed