SCHEMBL29192902

SCHEMBL29192902

CNC(=S)NNC(=O)c1c(-c2ccccc2)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.45
▸ MEN1 O00255 8/20 0.45
▸ KMT2A Q03164 8/20 0.45
▸ GAA P10253 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALPL P05186 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38

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
SCHEMBL29193120 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL29193157 0.78 AKR1C3 (0.49) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL29192912 0.77 HTT (0.44) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL29920302 0.72 KMT2A (0.53) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL15790413 0.65 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATDP1
SCHEMBL100456 0.65 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL29430733 0.65 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL14951396 0.64 HPRT1 (0.60) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL9220486 0.64 RAB9A (0.67) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL22418919 0.64 TDP1 (0.61) ALDH1A1MEN1KMT2AGAAMAPT

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-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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