SCHEMBL10678366

SCHEMBL10678366

CCC(c1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.47
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
KMO O15229 3/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CHEK2 O96017 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
SCHEMBL28230115 0.85 PARP10 (0.50) TSHRSMN1; SMN2KMT2AALDH1A1
SCHEMBL17802351 0.79 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL17802363 0.79 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3LMNA
Fumaric Acid SCHEMBL8867077 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL5999595 0.73 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL14192004 0.72 AKR1C3 (0.64) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6017403 0.72 AKR1C3 (0.64) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL30730198 0.72 AKR1C3 (0.64) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL28866121 0.72 BCAT2 (0.65) BCAT2SLC6A2SLC6A4SLC6A3KMO
SCHEMBL367843 0.72 BCAT2 (0.65) BCAT2SLC6A2SLC6A4SLC6A3KMO

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-4786755-A ANTAGONISTS, ENZYME INHIBITORS, MEDIATOR RELEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-11-22 US disclosed
US-4602023-A Diphenic acid monoamides WARNER-LAMBERT COMPANY (US) 1986-07-22 US disclosed