SCHEMBL8383201

SCHEMBL8383201

CON=C(N)c1ccc(C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 12/20 0.48
NPC1 O15118 11/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TNF P01375 1/20 0.47
KLF5 Q13887 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ATM Q13315 1/20 0.47
PKM P14618 2/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7285835 0.88 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1CDK5CDK5R1
SCHEMBL28093052 0.80 CES1 (0.38) SMN1; SMN2RAB9ANPC1L3MBTL1PKM
Trifluoroacetic Acid SCHEMBL7281971 0.78 NPC1 (0.43) SMN1; SMN2RAB9ANPC1CDK5CDK5R1
Trifluoroacetic Acid SCHEMBL8383199 0.78 NPC1 (0.43) SMN1; SMN2RAB9ANPC1CDK5CDK5R1
SCHEMBL8377878 0.76 TNF (0.50) SMN1; SMN2RAB9ANPC1CDK5CDK5R1
SCHEMBL31628121 0.76 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1L3MBTL1PKM
SCHEMBL7286411 0.73 HPGD (0.39) SMN1; SMN2RAB9ANPC1L3MBTL1PKM
SCHEMBL8370038 0.73 TSHR (0.48) SMN1; SMN2ALDH1A1
SCHEMBL2455339 0.72 NPC1 (0.49) SMN1; SMN2RAB9ANPC1L3MBTL1PKM
SCHEMBL21177990 0.71 KMT2A (0.39) RAB9ANPC1ATMPOLBMAPT

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
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed