SCHEMBL9355013

SCHEMBL9355013

NC(=O)N(c1cccc(N(C(N)=O)N2CCOCC2)c1S(=O)(=O)O)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
AKR1C3 P42330 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KMO O15229 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9298717 0.88 ALDH1A1 (0.34) TSHRRECQLALDH1A1SMN1; SMN2LMNA
SCHEMBL6799570 0.69 SMN1; SMN2 (0.35) TSHRALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6799568 0.69 SMN1; SMN2 (0.38) TSHRALDH1A1SMN1; SMN2LMNAAKR1C3
SCHEMBL23716956 0.64 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8779695 0.64 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL19207389 0.62 ALDH1A1 (0.44) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL27573843 0.61 KDM4E (0.43) TSHRSMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL11742751 0.60 KDM4E (0.42) TSHRSMN1; SMN2LMNAKDM4EHSD17B10
Oxirane SCHEMBL4954839 0.60 ALOX15 (0.50) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL10917858 0.59 GAA (0.44) RECQLALDH1A1SMN1; SMN2LMNAKDM4E

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-0502820-B1 New semicarbazides and their use for the stabilization of polyamide fibres and their colours CIBA GEIGY AG (CH) 1994-09-21 EP disclosed
EP-0502820-A1 New semicarbazides and their use for the stabilization of polyamide fibres and their colours CIBA-GEIGY AG (CH) 1992-09-09 EP disclosed