SCHEMBL25848804

SCHEMBL25848804

CC(C)c1ccc(NC(=O)CN)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
HPGD P15428 2/20 0.65
RAB9A P51151 6/20 0.60
NPC1 O15118 3/20 0.60
KIF11 P52732 1/20 0.59
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.54
TERT O14746 1/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL25017242 0.86 RAB9A (0.68) SMN1; SMN2HPGDRAB9ANPC1KIF11
SCHEMBL5440304 0.85 TSHR (0.73) SMN1; SMN2HPGDRAB9ANPC1KIF11
SCHEMBL6287639 0.85 CA1 (0.58) SMN1; SMN2HPGDRAB9ANPC1CA1
SCHEMBL12545584 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HPGDRAB9ANPC1KIF11
SCHEMBL104611 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HPGDRAB9ANPC1KIF11
SCHEMBL23483368 0.83 RAB9A (0.60) SMN1; SMN2HPGDRAB9ANPC1KIF11
SCHEMBL12018050 0.81 PTPN1 (0.73) SMN1; SMN2HPGDRAB9ANPC1KIF11
SCHEMBL5324688 0.81 SMN1; SMN2 (0.65) SMN1; SMN2HPGDRAB9ANPC1KIF11
SCHEMBL11193183 0.81 SMN1; SMN2 (0.65) SMN1; SMN2HPGDRAB9ANPC1KIF11
SCHEMBL11207364 0.81 SMN1; SMN2 (0.65) SMN1; SMN2HPGDRAB9ANPC1KIF11

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
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 EP disclosed