SCHEMBL7654823

SCHEMBL7654823

CCc1ccccc1N(C)C(=O)Cn1c(=O)c2ccccc2n(CCCCBr)c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
CNR2 P34972 7/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TNF P01375 1/20 0.43
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
Hydrochloric Acid SCHEMBL7650150 0.78 BCHE (0.44) MAPTLMNACNR2ALDH1A1KDM4E
SCHEMBL7654430 0.74 TNF (0.70) CNR2ALDH1A1KDM4ETNFHTT
SCHEMBL7649768 0.74 TNF (0.70) CNR2ALDH1A1KDM4ETNFHTT
SCHEMBL7654436 0.72 HDAC8 (0.47) MAPTCNR2TNF
SCHEMBL7655652 0.71 CYP1A2 (0.54) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7649846 0.71 TNF (0.59) LMNACNR2ALDH1A1KDM4ETNF
SCHEMBL10760314 0.70 TSHR (0.56) LMNACNR2KDM4ETNFHTT
SCHEMBL5036947 0.69 TNF (0.62) LMNACNR2ALDH1A1KDM4ETNF
SCHEMBL7655134 0.69 TNF (0.51) LMNACNR2ALDH1A1KDM4ETNF
SCHEMBL6417860 0.69 CNR2 (0.68) MAPTLMNACNR2ALDH1A1KDM4E

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