SCHEMBL6257705

SCHEMBL6257705

CN1C(=O)[C@@H](N(C(=O)O)c2ccccc2)CSc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
KMT2A Q03164 3/20 0.40
MITF O75030 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ACE P12821 3/20 0.35
MME P08473 2/20 0.35
NOTUM Q6P988 1/20 0.35
XIAP P98170 1/20 0.35
ALOX15 P16050 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL1999440 0.81 RIPK1 (0.42) RIPK1KMT2AMITFTDP1ALDH1A1
SCHEMBL1999442 0.81 RIPK1 (0.42) RIPK1KMT2AMITFTDP1ALDH1A1
SCHEMBL3148748 0.73 RIPK1 (0.60) RIPK1ACEMMEXIAP
SCHEMBL3148741 0.73 RIPK1 (0.60) RIPK1ACEMMEXIAP
SCHEMBL23189076 0.72 MAOA (0.44) RIPK1KMT2AMITFTDP1ALDH1A1
SCHEMBL4987572 0.71 MAOA (0.43) RIPK1KMT2AALDH1A1NOTUMALOX15
SCHEMBL15956985 0.71 MAOA (0.43) RIPK1KMT2AALDH1A1NOTUMALOX15
SCHEMBL3148112 0.71 MAOA (0.43) RIPK1KMT2AALDH1A1NOTUMALOX15
Hydrochloric Acid SCHEMBL15957112 0.70 MAOA (0.42) RIPK1KMT2AALDH1A1NOTUMALOX15
Hydrochloric Acid SCHEMBL15957113 0.70 MAOA (0.42) RIPK1KMT2AALDH1A1NOTUMALOX15

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-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed