SCHEMBL10483323

SCHEMBL10483323

Nc1cc(C(=O)Nc2ncncn2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.53
▸ GABRD O14764 2/20 0.53
▸ GABRA1 P14867 2/20 0.53
▸ GABRB1 P18505 2/20 0.53
▸ GABRG2 P18507 2/20 0.53
▸ GABRB3 P28472 2/20 0.53
▸ GABRA5 P31644 2/20 0.53
▸ GABRA3 P34903 2/20 0.53
▸ GABRA2 P47869 2/20 0.53
▸ GABRB2 P47870 2/20 0.53
▸ GABRA4 P48169 2/20 0.53
▸ GABRE P78334 2/20 0.53
▸ GABRA6 Q16445 2/20 0.53
▸ GABRG1 Q8N1C3 2/20 0.53
▸ GABRG3 Q99928 2/20 0.53
▸ GABRQ Q9UN88 2/20 0.53
▸ SMYD3 Q9H7B4 1/20 0.44
▸ CA9 Q16790 2/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 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
SCHEMBL16964304 0.79 KDM4E (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9566552 0.79 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28175287 0.78 LMNA (0.58) CA9KDM4EMAPTGAAL3MBTL1
SCHEMBL9566461 0.77 L3MBTL1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9566514 0.77 CSNK1D (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9566563 0.76 TYK2 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1417739 0.76 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14062132 0.76 LMNA (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10483515 0.76 KMT2A (0.46) HDAC1KDM4EMAPTKMT2AMEN1
SCHEMBL9566459 0.76 JAK2 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US claimed
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US disclosed
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