SCHEMBL10957579

SCHEMBL10957579

O=C(/C=C1\C(=O)N(c2ccccc2)C(=O)N1c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PLIN1 O60240 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ TNFRSF1A P19438 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PLIN5 Q00G26 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ ABHD5 Q8WTS1 1/20 0.40
▸ CA12 O43570 1/20 0.39

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
SCHEMBL10957583 1.00 TGM2 (0.42) TGM2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11554816 0.77 MMP1 (0.44) TGM2ALDH1A1MAPTMEN1KMT2A
SCHEMBL28861966 0.73 ITGA4 (0.50) MAPTMEN1KMT2AITGA4ITGB7
SCHEMBL2851080 0.72 MGLL (0.56) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL11283649 0.70 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL11283647 0.70 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL21415451 0.69 MGLL (0.48) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL2928174 0.68 GAA (0.57) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL23806076 0.68 ITGA4 (0.45) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL11060565 0.68 NPC1 (0.47) KMT2ARAB9ABCHEACHECA12

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
EP-0080079-B1 PROCESS FOR THE PREPARATION OF HYDANTOINS BAYER AG (DE) 1986-06-25 — — EP disclosed
EP-0080079-A1 Process for the preparation of hydantoins BAYER AG (DE) 1983-06-01 — — EP disclosed
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