SCHEMBL7653703

SCHEMBL7653703

O=c1c2ccccc2n(CCCCBr)c(=O)n1Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
MAPK10 P53779 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GABRA5 P31644 3/20 0.47
GABRA1 P14867 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CNR2 P34972 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL6978785 0.83 TSHR (0.51) PKMMAPK10MEN1KMT2AGABRA5
SCHEMBL6517583 0.81 PARG (0.58) PKMMAPK10GABRA5GABRA1
SCHEMBL7648583 0.77 HDAC1 (0.59) MEN1KMT2APOLBTDP1MAPT
SCHEMBL6969321 0.73 TSHR (0.57) KMT2AMAPT
SCHEMBL24031125 0.72 HDAC6 (0.79) HDAC1HDAC11HDAC8HDAC6
SCHEMBL8831732 0.72 RORA (0.69) TDP1HDAC1HDAC11HDAC8HDAC6
SCHEMBL13528242 0.71 MAPT (0.78) MEN1KMT2AMAPTHDAC1HDAC11
SCHEMBL5036947 0.71 TNF (0.62) KDM4ELMNATDP1HDAC1CNR2
SCHEMBL7651124 0.70 PGR (0.68) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL3419641 0.70 PKM (0.58) PKMMAPK10MEN1KMT2AGABRA5

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