SCHEMBL28662847

SCHEMBL28662847

Cc1cc(N)ccc1N=S(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 6/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SIGMAR1 Q99720 4/20 0.44
▸ PDE10A Q9Y233 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41

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
SCHEMBL11057456 0.79 NPC1 (0.46) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL12588150 0.77 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL9611204 0.76 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL11685094 0.76 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL11687089 0.76 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ECYP3A4TSHR
SCHEMBL14923355 0.72 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL14679678 0.72 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP3A4MEN1
Aniline SCHEMBL11683885 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBTSHRATIC
SCHEMBL9468457 0.72 CYP3A4 (0.48) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL18084260 0.71 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4MEN1

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-109715728-B Adducts and uses thereof 亨斯迈先进材料美国有限责任公司 2021-11-30 — — CN disclosed
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