SCHEMBL21248147

SCHEMBL21248147

CCOC(=O)c1c(-c2ccc3c(c2)CCC3)csc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ LMNA P02545 7/20 0.50
▸ PTPN1 P18031 2/20 0.50
▸ PTPRC P08575 1/20 0.50
▸ PTPRF P10586 1/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ PTPA Q15257 1/20 0.50
▸ GSTO1 P78417 1/20 0.50
▸ ALDH1A1 P00352 8/20 0.49
▸ MAPT P10636 8/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ ALOX12 P18054 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ HPGD P15428 6/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ DHODH Q02127 1/20 0.48

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
SCHEMBL21248149 0.86 HPGD (0.62) POLBRAB9ALMNAPTPN1PTPRC
SCHEMBL21253180 0.82 PRKCZ (0.66) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL4013374 0.75 GSTO1 (0.59) POLBRAB9ALMNAPTPN1PTPRC
SCHEMBL4010031 0.73 ALDH1A1 (0.57) POLBRAB9ALMNAPTPN1PTPRC
SCHEMBL23599197 0.72 LMNA (0.74) POLBRAB9ALMNAPTPN1PTPRC
SCHEMBL21259033 0.72 MAPK8 (0.46) POLBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL21247938 0.72 MAPK8 (0.47) POLBRAB9ALMNAGSTO1ALDH1A1
SCHEMBL23580345 0.72 LMNA (0.73) POLBRAB9ALMNAPTPN1PTPRC
SCHEMBL21247388 0.70 MEN1 (0.58) POLBRAB9ALMNAALDH1A1MAPT
SCHEMBL11634946 0.70 LMNA (0.74) POLBRAB9ALMNAPTPN1PTPRC

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-3749650-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 — — EP disclosed
WO-2019154956-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — WO disclosed
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