SCHEMBL11057449

SCHEMBL11057449

CC1SC(c2cccnc2)N(CC2CCCCC2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
CYP11B2 P19099 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA7 P36544 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
SCD O00767 1/20 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
SCHEMBL11119675 0.85 MAPT (0.47) ALDH1A1LMNATDP1MAPTNPSR1
SCHEMBL11057497 0.82 NPSR1 (0.52) ALDH1A1LMNATDP1MAPTNPSR1
SCHEMBL11055908 0.80 CYP11B2 (0.46) ALDH1A1LMNACYP11B2TDP1MAPT
SCHEMBL11057270 0.80 CYP11B2 (0.46) ALDH1A1LMNACYP11B2TDP1MAPT
SCHEMBL11057557 0.79 KDM4E (0.39) ALDH1A1LMNACYP11B2TDP1MAPT
Hydrochloric Acid SCHEMBL11054142 0.79 CYP11B2 (0.44) ALDH1A1LMNACYP11B2TDP1NPSR1
SCHEMBL11054655 0.79 MAPT (0.65) ALDH1A1CYP11B2TDP1MAPTNPSR1
SCHEMBL9652192 0.78 MAPT (0.45) ALDH1A1TDP1MAPTNPSR1POLB
SCHEMBL9653901 0.78 TDP1 (0.46) ALDH1A1TDP1MAPTNPSR1POLB
SCHEMBL11120126 0.76 NPSR1 (0.43) ALDH1A1LMNATDP1MAPTNPSR1

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
US-4482712-A FUNGICIDES; HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1984-11-13 US disclosed
EP-0010420-B1 PYRIDYL-SUBSTITUTED THIAZOLIDINE AND 1,3-THIAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AGRICULTURAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND METHODS FOR REGULATING PLANT GROWTH AND PROTECTING PLANTS FROM FUNGI ELI LILLY AND COMPANY (US) 1984-08-22 EP disclosed
US-4436739-A FUNGICIDES ELI LILLY AND COMPANY (US) 1984-03-13 US disclosed
EP-0010420-A1 Pyridyl-substituted thiazolidine and 1,3-thiazine derivatives, processes for their preparation, agricultural compositions containing said derivatives and methods for regulating plant growth and protecting plants from fungi ELI LILLY AND COMPANY (US) 1980-04-30 EP disclosed