SCHEMBL9140459

SCHEMBL9140459

O=C(NCCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.57
AKR1C3 P42330 2/20 0.55
MAPT P10636 1/20 0.50
PPARA Q07869 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
EGFR P00533 1/20 0.47
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8869195 0.93 MAPT (0.50) P4HTMAKR1C3MAPTPPARARAB9A
SCHEMBL9138339 0.92 P4HTM (0.65) P4HTMAKR1C3RAB9ANPC1SMN1; SMN2
SCHEMBL9143635 0.92 P4HTM (0.58) P4HTMAKR1C3PPARARAB9ANPC1
SCHEMBL9137965 0.91 P4HTM (0.57) P4HTMAKR1C3MAPTRAB9ANPC1
SCHEMBL9140238 0.90 PPARA (0.49) P4HTMAKR1C3MAPTPPARARAB9A
SCHEMBL9139923 0.89 P4HTM (0.60) P4HTMMAPTPPARARAB9ANPC1
SCHEMBL9141303 0.89 P4HTM (0.60) P4HTMMAPTPPARARAB9ANPC1
SCHEMBL8867979 0.89 PPARA (0.49) P4HTMAKR1C3MAPTPPARARAB9A
SCHEMBL9139090 0.89 PPARA (0.48) P4HTMAKR1C3MAPTPPARARAB9A
SCHEMBL9140053 0.88 AKR1C3 (0.57) P4HTMAKR1C3MAPTRAB9ANPC1

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