SCHEMBL7605014

SCHEMBL7605014

NC(=O)OCCSC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL19391819 0.82 KMT2A (0.42) LMNASMN1; SMN2KMT2ATDP1L3MBTL1
SCHEMBL16047247 0.79 KMT2A (0.52) LMNASMN1; SMN2KMT2ATDP1L3MBTL1
SCHEMBL9965803 0.79 KMT2A (0.46) LMNASMN1; SMN2KMT2ATDP1TSHR
SCHEMBL1478855 0.78 ESR1 (0.59) LMNACYP1A2CYP2D6SMN1; SMN2KMT2A
SCHEMBL6662585 0.77 PKM (0.53) LMNAPKMSMN1; SMN2TDP1L3MBTL1
SCHEMBL7603139 0.77 LMNA (0.53) LMNACYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL10229011 0.76 KMT2A (0.47) LMNASMN1; SMN2KMT2AL3MBTL1TSHR
SCHEMBL6549496 0.76 IDO1 (0.53) CYP1A2CYP2D6SMN1; SMN2KMT2ATDP1
SCHEMBL31131464 0.75 KMT2A (0.49) LMNASMN1; SMN2NPSR1KMT2ATDP1
SCHEMBL7909243 0.75 KMT2A (0.49) LMNASMN1; SMN2NPSR1KMT2ATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed