SCHEMBL7656667

SCHEMBL7656667

CCOC(=O)C(N)Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 9/20 0.46
CD274 Q9NZQ7 9/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
GAA P10253 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 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
SCHEMBL8169718 0.89 RAB9A (0.43) SMN1; SMN2LMNANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL6740354 0.79 ITGB1 (0.42) PDCD1CD274SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6740346 0.79 ITGB1 (0.42) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL12502286 0.75 NPC1 (0.63) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL8181958 0.73 ITGB1 (0.54)
SCHEMBL5236788 0.70 HCAR3 (0.61) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL31586440 0.70 HCAR3 (0.61) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5233593 0.70 SMN1; SMN2 (0.53) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL2734222 0.70 EPHX2 (0.51) SMN1; SMN2LMNAALDH1A1HTTNPSR1
SCHEMBL21117877 0.70 EPHX2 (0.51) SMN1; SMN2LMNAALDH1A1HTTNPSR1

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-6369229-B1 IMMUNOLOGY AND ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 2002-04-09 US disclosed