SCHEMBL19988756

SCHEMBL19988756

COC(=O)c1ncccc1-c1cc2[nH]c3ccccc3c2c2ccc(COC(=O)c3cnccc3-c3cc4[nH]c5ccccc5c4c4ccccc34)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ GABRA4 P48169 2/20 0.37
▸ GABRE P78334 2/20 0.37
▸ GABRA6 Q16445 2/20 0.37
▸ GABRG1 Q8N1C3 2/20 0.37
▸ GABRG3 Q99928 2/20 0.37
▸ GABRQ Q9UN88 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 3/20 0.37

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
SCHEMBL19988471 0.83 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AGABRPGABRDGABRA1
SCHEMBL19988802 0.82 MAPT (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19988799 0.81 KDM4E (0.47) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL19988800 0.73 KDM4E (0.47) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL19988466 0.72 KDM4E (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19988459 0.72 KDM4E (0.44) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL21155928 0.70 KIF11 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19988468 0.70 MAP2K1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19988450 0.69 CSNK2A1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19988469 0.69 MAP2K1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2

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
WO-2018050583-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 — — WO disclosed
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