SCHEMBL9846729

SCHEMBL9846729

CC1(C)N=C(N2CCCC2=O)c2cc(Br)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.37
CTSD P07339 1/20 0.37
MALT1 Q9UDY8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
PBRM1 Q86U86 1/20 0.33
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
NPC1 O15118 1/20 0.32
HSD11B1 P28845 1/20 0.32
IDO1 P14902 1/20 0.32
POLB P06746 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL9846715 0.86 CTSD (0.36) BACE1CTSDMEN1KMT2ATSHR
SCHEMBL9372531 0.83 ABCC9 (0.47) BACE1CTSDMALT1ABCC9ABCC8
SCHEMBL9372884 0.83 CASP6 (0.39) MALT1MEN1KMT2APOLB
SCHEMBL9846780 0.83 PDK2 (0.39) MEN1KMT2ATSHRHSD11B1HDAC8
SCHEMBL9372313 0.80 CASP6 (0.39) MALT1MEN1KMT2APOLB
SCHEMBL9375925 0.80 ABCC9 (0.44) BACE1CTSDMALT1ABCC9ABCC8
SCHEMBL9846720 0.79 PBRM1 (0.37) BACE1CTSDMALT1PBRM1
SCHEMBL9733185 0.74 SMN1; SMN2 (0.33) BACE1CTSDMALT1HSD17B10MEN1
SCHEMBL9737580 0.73 SMN1; SMN2 (0.35) MALT1HSD17B10MEN1KMT2ATSHR
SCHEMBL9372070 0.72 BACE1 (0.33) BACE1CTSDMALT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450487-A1 Benzoxazine derivatives, method for their preparation and their use for treating or prophylaxis of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed