SCHEMBL6672345

SCHEMBL6672345

CS(=O)(=O)n1cc(C(N)=O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.55
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HTR3A P46098 4/20 0.52
▸ PLK1 P53350 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HTR6 P50406 1/20 0.48
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ ALOX5 P09917 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL6674814 0.85 AKR1C3 (0.62) FABP4LMNASMN1; SMN2HTR3APLK1
SCHEMBL17176310 0.85 SMN1; SMN2 (0.70) LMNASMN1; SMN2HTR3APLK1MEN1
SCHEMBL6649721 0.83 BRD4 (0.44) FABP4LMNASMN1; SMN2HTR3APLK1
SCHEMBL17170611 0.81 ALDH1A1 (0.56) FABP4LMNASMN1; SMN2HTR3APLK1
SCHEMBL4926276 0.81 LMNA (0.74) FABP4LMNASMN1; SMN2PLK1MEN1
SCHEMBL19068172 0.81 KMT2A (0.57) LMNASMN1; SMN2HTR3APLK1MEN1
SCHEMBL30689046 0.80 ALOX5 (0.65) FABP4LMNASMN1; SMN2PLK1MEN1
SCHEMBL22638205 0.80 ALOX5 (0.65) FABP4LMNASMN1; SMN2PLK1MEN1
Acetic Acid SCHEMBL6652044 0.79 BRD4 (0.44) FABP4LMNASMN1; SMN2HTR3APLK1
SCHEMBL19068164 0.79 HTR3A (0.48) FABP4LMNASMN1; SMN2HTR3APLK1

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-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 — — EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 — — WO disclosed
Send feedback