SCHEMBL16455162

SCHEMBL16455162

C=C(N[C@@H](CSCCN)C(=O)N1CCOCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PHGDH O43175 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCKBR P32239 1/20 0.38

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
SCHEMBL16455123 0.90 PHGDH (0.40) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL16455067 0.85 HPGD (0.47) ALDH1A1SMN1; SMN2TSHRPOLBMAPT
SCHEMBL18848469 0.82 POLB (0.46) POLBKMT2ANPC1KDM4EHSD17B10
SCHEMBL16455031 0.80 NPC1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL16455177 0.80 KDM1A (0.44) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL18848747 0.79 KDM1A (0.46) ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL18848433 0.79 NPC1 (0.46) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL18848758 0.76 KDM1A (0.45) ALDH1A1POLB
SCHEMBL18848613 0.74 KDM1A (0.46) ALDH1A1
SCHEMBL16455199 0.72 KMT2A (0.49) ALDH1A1SMN1; SMN2TSHRPOLBMAPT

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
WO-2017079753-A1 LYSINE-SPECIFIC HISTONE DEMETHYLASE AS A NOVEL THERAPEUTIC TARGET IN MYELOPROLIFERATIVE NEOPLASMS IMAGO BIOSCIENCES, INC. (US) 2017-05-11 WO disclosed
WO-2015021128-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC. (US) 2015-02-12 WO disclosed