SCHEMBL28048741

SCHEMBL28048741

CC(C)(C)OC(=O)c1n[nH]cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
GRM6 O15303 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRA6 Q16445 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGDS O60760 1/20 0.40
HTT P42858 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GABRA4 P48169 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL949763 0.83 SMN1; SMN2 (0.58) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL9586577 0.79 KDM4E (0.51) ALDH1A1LMNAGABRA2SMN1; SMN2HPGDS
SCHEMBL948199 0.79 KDM4E (0.50) ALDH1A1LMNASMN1; SMN2HTTTDP1
SCHEMBL27849366 0.78 NR4A2 (0.42) ALDH1A1LMNASMN1; SMN2HTTHSD17B10
SCHEMBL30731570 0.76 ALDH1A1 (0.48) ALDH1A1LMNAGRM6GABRA1GABRG2
SCHEMBL954343 0.76 BCAT2 (0.47) ALDH1A1LMNASMN1; SMN2TSHRHSD17B10
SCHEMBL38655809 0.74 ALDH1A1 (0.43) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL7421480 0.74 ALDH1A1 (0.41) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL7402340 0.74 LMNA (0.70) ALDH1A1LMNAGRM6GABRA1GABRG2
SCHEMBL28778787 0.73 KMT2A (0.44) ALDH1A1LMNAGABRA1GABRG2GABRB3

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
CN-105377851-A BET bromodomain inhibitors and therapeutic methods using these inhibitors UNIV MICHIGAN REGENTS 2016-03-02 CN disclosed