SCHEMBL6550464

SCHEMBL6550464

CC[C@@H](C(=O)O)N(N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
AOC3 Q16853 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36

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
Hydrochloric Acid SCHEMBL2313635 0.98 ALDH1A1 (0.43) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL3276902 0.83 SMPD2 (0.39) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL7537102 0.83 SMPD2 (0.39) ALDH1A1GLATSHRTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL2315986 0.83 TDP1 (0.36) TSHRTP53AOC3KMT2APOLB
SCHEMBL430659 0.79 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL430660 0.79 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL9324872 0.78 TSHR (0.48) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL28958055 0.78 ALDH1A1 (0.44) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL28571251 0.78 ALDH1A1 (0.44) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL28958014 0.78 ALDH1A1 (0.48) ALDH1A1GLATSHRTP53SMN1; SMN2

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
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO claimed