SCHEMBL11060554

SCHEMBL11060554

CC1SC(c2cccnc2)N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
SMO Q99835 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.39
FPR1 P21462 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
SCHEMBL11054433 0.91 TDP1 (0.66) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL11055494 0.85 MAPT (0.44) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL11123856 0.82 P2RX7 (0.44) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL9653901 0.81 TDP1 (0.46) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL11057290 0.81 ALDH1A1 (0.51) TDP1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL11057294 0.80 ALDH1A1 (0.50) TDP1ALDH1A1POLBLMNA
SCHEMBL11063582 0.79 ALDH1A1 (0.48) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL9652192 0.79 MAPT (0.45) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL11055589 0.78 MAPT (0.81) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL11057788 0.78 MAPT (0.65) TDP1MAPTALDH1A1POLBNPSR1

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