SCHEMBL29206992

SCHEMBL29206992

COc1ccc(S(=O)(=O)NCCCCCCBr)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.82
PKM P14618 3/20 0.82
USP2 O75604 1/20 0.66
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
POLB P06746 1/20 0.57
HTR7 P34969 1/20 0.54
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
CYP19A1 P11511 1/20 0.51

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
SCHEMBL29163150 0.86 ALDH1A1 (0.84) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL29207011 0.86 ALDH1A1 (0.84) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL29183292 0.86 ALDH1A1 (0.84) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL29183282 0.86 ALDH1A1 (0.84) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL9149721 0.86 ALDH1A1 (0.84) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL29206991 0.85 ALDH1A1 (0.82) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL29183277 0.85 ALDH1A1 (0.82) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL1465523 0.84 ALDH1A1 (0.87) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL5563528 0.84 ALDH1A1 (0.86) ALDH1A1PKMUSP2MEN1KMT2A
SCHEMBL7392549 0.83 ALDH1A1 (0.84) ALDH1A1PKMUSP2MEN1KMT2A

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
CN-116375611-A Method for synthesizing difluoroalkyl compound from fatty amine 浙江工业大学 2023-07-04 CN disclosed