SCHEMBL9140306

SCHEMBL9140306

CCOCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC(C)C)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.45
RAB9A P51151 2/20 0.41
FBP1 P09467 1/20 0.41
CASP3 P42574 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL9139411 0.95 RAB9A (0.45) P4HTMRAB9AFBP1KMT2AMEN1
SCHEMBL9139745 0.92 P4HTM (0.47) P4HTMRAB9ACASP3KMT2AMEN1
SCHEMBL9140303 0.90 P4HTM (0.44) P4HTMRAB9AFBP1CASP3KMT2A
SCHEMBL8868688 0.89 P4HTM (0.47) P4HTMRAB9AFBP1CASP3KMT2A
SCHEMBL8869265 0.89 P4HTM (0.47) P4HTMRAB9AFBP1CASP3KMT2A
SCHEMBL9142109 0.89 SMN1; SMN2 (0.47) P4HTMFBP1CASP3KMT2AMEN1
SCHEMBL9139358 0.89 P4HTM (0.50) P4HTMCASP3BCL2L1MCL1
SCHEMBL9143465 0.89 RAB9A (0.53) P4HTMRAB9ACASP3NPC1BCL2L1
SCHEMBL9018346 0.88 RAB9A (0.39) P4HTMRAB9AFBP1CASP3KMT2A
SCHEMBL9143301 0.88 HPGD (0.45) P4HTMRAB9AFBP1KMT2AMEN1

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
US-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed