SCHEMBL7287339

SCHEMBL7287339

Cc1ccc(CN2C(=O)C(C)Oc3c(C(=O)Cl)cc(Cl)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 5/20 0.44
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7287822 0.91 TSHR (0.44) TSHRALDH1A1THRBSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL7287352 0.90 TSHR (0.43) TSHRALDH1A1THRBSMN1; SMN2NPSR1
SCHEMBL7288491 0.90 MEN1 (0.44) TSHRALDH1A1KMT2AMEN1HTT
SCHEMBL7291570 0.88 CMA1 (0.41) TSHRALDH1A1HTTGSK3BLMNA
SCHEMBL10427988 0.83 TSHR (0.46) TSHRSMN1; SMN2NPSR1HTTLMNA
SCHEMBL7281531 0.82 MEN1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL7288360 0.82 MEN1 (0.46) TSHRALDH1A1KMT2AMEN1HTT
SCHEMBL7287042 0.81 MEN1 (0.44) TSHRALDH1A1KMT2AMEN1HTT
SCHEMBL7288565 0.81 ALDH1A1 (0.44) TSHRALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7288500 0.81 MEN1 (0.43) TSHRALDH1A1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313393-B1 Benzoxazine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 1994-03-16 EP disclosed
US-4892872-A ANTIEMETICS, ANTINAUSEA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
EP-0313393-A2 Benzoxazine compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-26 EP disclosed