SCHEMBL10920934

SCHEMBL10920934

COc1ccc(C(=O)c2[nH]c(=O)[nH]c2CN2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ EPAS1 Q99814 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ RIN1 Q13671 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ CNR1 P21554 1/20 0.47
▸ TYMP P19971 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ RECQL P46063 1/20 0.45

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
SCHEMBL10917978 0.90 ALDH1A1 (0.49) TSHRHIF1ASMN1; SMN2KMT2ATYMP
SCHEMBL10916248 0.88 ALDH1A1 (0.51) TSHRSMN1; SMN2KMT2AKDM4ETYMP
SCHEMBL10918979 0.87 ALDH1A1 (0.52) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL10922643 0.86 POLB (0.42) KMT2AMAPTALDH1A1LMNA
SCHEMBL10922313 0.83 MEN1 (0.51) L3MBTL1SMN1; SMN2KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL10921886 0.82 KMT2A (0.58) TSHRTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL10914047 0.81 HSD11B1 (0.50) HIF1ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL10919669 0.80 NPC1 (0.50) L3MBTL1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10916090 0.80 DRD2 (0.50) TSHRKMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL10916739 0.80 HSD11B1 (0.49) HIF1ASMN1; SMN2KDM4EALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064704-B1 4-AMINOMETHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-04-16 — — EP disclosed
US-4381393-A 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1983-04-26 — — US disclosed
EP-0064704-A1 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
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