SCHEMBL7278933

SCHEMBL7278933

COC(=O)c1cc(Cl)cc2c1OC(C)(C)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
SERPINH1 P50454 1/20 0.42
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 1/20 0.36
PDK2 Q15119 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NR4A2 P43354 2/20 0.35
POLB P06746 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2240208 0.78 ALDH1A1 (0.43) BRD4ALDH1A1KDM4ESMN1; SMN2PDK2
SCHEMBL12478771 0.77 SERPINH1 (0.40) BRD4SERPINH1ALDH1A1KDM4EABL1
SCHEMBL28041335 0.77 SERPINH1 (0.43) SERPINH1ALDH1A1KDM4ESMN1; SMN2ABL1
SCHEMBL7281163 0.76 PDE3B (0.43) SERPINH1ALDH1A1ABL1MEN1KMT2A
SCHEMBL7288542 0.75 SERPINH1 (0.41) SERPINH1ALDH1A1ABL1PDK2MEN1
SCHEMBL17594685 0.74 HTR6 (0.40) BRD4ALDH1A1KDM4ESMN1; SMN2HTR6
SCHEMBL12362330 0.74 BRD4 (0.42) BRD4ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL2240754 0.71 BRD4 (0.52) BRD4ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL23412523 0.70 BRD4 (0.39) BRD4SERPINH1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29706778 0.70 BRD4 (0.51) BRD4ALDH1A1KDM4ESMN1; SMN2POLB

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