SCHEMBL25994490

SCHEMBL25994490

CCCOc1ccc(/C=C2\SC(=S)N(CC=O)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 2/20 0.64
▸ MAPT P10636 4/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ AKR1B1 P15121 8/20 0.57
▸ NCOA3 Q9Y6Q9 2/20 0.57
▸ MITF O75030 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MYC P01106 1/20 0.55
▸ MAX P61244 1/20 0.55
▸ PTPN1 P18031 3/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ PIM2 Q9P1W9 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52

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
SCHEMBL29984921 0.84 AKR1B1 (0.80) DNM1MAPTALDH1A1MAPK1LMNA
SCHEMBL19736088 0.84 AKR1B1 (0.80) DNM1MAPTALDH1A1MAPK1LMNA
SCHEMBL12008537 0.82 MAPT (0.84) MAPTALDH1A1MAPK1AKR1B1NCOA3
SCHEMBL12008492 0.81 AKR1B1 (0.74) DNM1MAPTALDH1A1MAPK1LMNA
SCHEMBL17319550 0.80 AKR1B1 (0.84) DNM1MAPTAKR1B1NCOA3MITF
SCHEMBL17319533 0.80 AKR1B1 (0.84) DNM1MAPTAKR1B1NCOA3MITF
SCHEMBL18103079 0.79 MAPK1 (0.78) DNM1MAPTALDH1A1MAPK1LMNA
SCHEMBL20006042 0.79 MAPK1 (0.78) DNM1MAPTALDH1A1MAPK1LMNA
SCHEMBL31482535 0.78 DNM1 (1.00) DNM1MAPTALDH1A1MAPK1LMNA
SCHEMBL12008439 0.78 AKR1B1 (0.84) DNM1MAPTALDH1A1MAPK1AKR1B1

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
EP-3468555-B1 COMPOSITIONS FOR USE IN TREATING BACTERIAL INFECTIONS VERSITECH LTD (HK) 2023-08-09 — — EP disclosed
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