SCHEMBL7649581

SCHEMBL7649581

COC(=O)Cn1c(=O)c2ccccc2n(CCCCl)c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.56
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.49
TNF P01375 1/20 0.47
S1PR2 O95136 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
MDM2 Q00987 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7657372 0.96 CNR2 (0.57) CNR2KDM4ESMN1; SMN2KMT2ATP53
SCHEMBL7650027 0.80 TNF (0.68) CNR2KDM4EKMT2ATNF
SCHEMBL25936310 0.78 KDM4E (0.61) CNR2KDM4ESMN1; SMN2KMT2ATP53
SCHEMBL7649524 0.77 TSHR (0.56) CNR2KDM4EKMT2ATNFMAPK1
SCHEMBL7652274 0.77 P2RX4 (0.61) SMN1; SMN2KMT2ATP53MAPTMAPK1
SCHEMBL7650022 0.77 TNF (0.73) CNR2TP53TNF
SCHEMBL7656518 0.77 TNF (0.67) CNR2KDM4ETP53TNF
SCHEMBL3202252 0.75 KDM4E (0.69) KDM4ESMN1; SMN2KMT2AMAPTNPC1
SCHEMBL11811656 0.75 KDM4E (0.80) KDM4ESMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7653576 0.74 BCHE (0.48) CNR2KMT2ANPC1RAB9A

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