SCHEMBL23623237

SCHEMBL23623237

CC1(C(N)=S)CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL16137560 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL21232573 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL21238427 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL6897779 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL15896508 0.97
SCHEMBL2700815 0.85
SCHEMBL11843545 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL1870512 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10953008 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL10953006 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2

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
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO disclosed