SCHEMBL7656674

SCHEMBL7656674

CC(C)(C)n1c(=O)c2ccccc2n(CCCCl)c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.46
PGR P06401 4/20 0.44
RORA P35398 2/20 0.44
RORC P51449 2/20 0.44
RORB Q92753 2/20 0.44
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7649604 0.96 CNR2 (0.47) CNR2PGRRORARORCRORB
SCHEMBL7649524 0.82 TSHR (0.56) CNR2PGRRORARORCRORB
SCHEMBL7649598 0.78 TSHR (0.55) CNR2PGRRORARORCRORB
SCHEMBL22716908 0.77 MPO (0.46) CNR2PGRKDM4EALDH1A1LMNA
SCHEMBL31189225 0.77 MPO (0.46) CNR2PGRKDM4EALDH1A1LMNA
SCHEMBL4547798 0.75 ERCC1 (0.44) CNR2PGRKDM4EALDH1A1LMNA
SCHEMBL22745921 0.74 P2RX4 (0.64) PGRKDM4EALDH1A1LMNAMAPT
SCHEMBL541993 0.73 FABP4 (0.56) CNR2
SCHEMBL2700703 0.73 FABP4 (0.56) CNR2
SCHEMBL7649581 0.73 CNR2 (0.56) CNR2KDM4EMAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed