SCHEMBL20615249

SCHEMBL20615249

O=C1NC(=O)/C(=C/c2c[nH]c3ccc(N4C(=O)S/C(=C\c5ccccc5)C4=O)cc23)S1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.49
PIM2 Q9P1W9 5/20 0.49
PIM3 Q86V86 1/20 0.49
GLS O94925 4/20 0.46
GLS2 Q9UI32 4/20 0.46
AKR1B1 P15121 5/20 0.43
PPARA Q07869 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
HPGD P15428 1/20 0.41
MTOR P42345 1/20 0.41
CA2 P00918 1/20 0.41
NAT1 P18440 1/20 0.41
EPHX1 P07099 1/20 0.41
CISD1 Q9NZ45 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7557103 0.86 PTPN1 (0.56) HPGDMAOAMAOBMEN1TTR
SCHEMBL7557643 0.85 GSK3B (0.51) PIM1PIM2AKR1B1HPGDMEN1
SCHEMBL30977001 0.76 NPC1 (0.58) HPGDMEN1KMT2A
SCHEMBL30343486 0.74 MEN1 (0.61) PIM1PIM2PIM3AKR1B1HPGD
SCHEMBL1249881 0.74 MEN1 (0.61) PIM1PIM2PIM3AKR1B1HPGD
SCHEMBL1249878 0.74 MEN1 (0.61) PIM1PIM2PIM3AKR1B1HPGD
SCHEMBL2422392 0.74 MEN1 (0.61) PIM1PIM2PIM3AKR1B1HPGD
SCHEMBL1249365 0.73 PTPN1 (0.69) HPGDMAOAMAOBMEN1TTR
SCHEMBL12891965 0.73 PTPN1 (0.69) HPGDMAOAMAOBMEN1TTR
SCHEMBL1249362 0.73 PTPN1 (0.69) HPGDMAOAMAOBMEN1TTR

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
WO-2019006359-A1 COMPOSITIONS AND METHODS FOR MODULATING HAIR GROWTH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-03 WO disclosed