SCHEMBL18179819

SCHEMBL18179819

Cc1ccc(N(C)[SH](=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ TSHR P16473 2/20 0.55
▸ MAPT P10636 2/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL18179820 0.77 CYP2A6 (0.40) ALDH1A1TSHRMAPTTDP1LMNA
SCHEMBL27749449 0.77 ALDH1A1 (0.35) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL27889712 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPTTDP1LMNA
SCHEMBL29128236 0.77 APP (0.45) ALDH1A1TSHRMAPTTDP1ACHE
SCHEMBL15189824 0.76 KMT2A (0.50) ALDH1A1TSHRLMNARAB9ACA12
Water SCHEMBL28009495 0.75 ALDH1A1 (0.33) ALDH1A1TSHRALOX15HSD17B10
SCHEMBL29128157 0.73 CA1 (0.50) ALDH1A1MAPTTDP1ACHERAB9A
SCHEMBL29199216 0.73 CYP2A6 (0.64) ALDH1A1MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL16694956 0.72 ALDH1A1 (0.46) ALDH1A1TSHRMAPTMCOLN3TDP1
SCHEMBL17772909 0.72 ALDH1A1 (0.48) ALDH1A1TSHRMAPTTDP1LMNA

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
CN-110015971-A One kind preparing α, α-diamides base alkane derivative method with N, N '-dialkyl amide 温州大学 2019-07-16 — — CN disclosed
US-20160313639-A1 PHOTOSENSITIVE RESIN COMPOSITION, PIXEL LAYER, PROTECTIVE FILM, SPACER, THIN-FILM TRANSISTOR, COLOR FILTER, AND LIQUID CRYSTAL DISPLAY APPARATUS CHI MEI CORPORATION (TW) 2016-10-27 — — US disclosed
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