SCHEMBL10483371

SCHEMBL10483371

Nc1cc(C(=O)Nc2ncnc(-c3cc4ccccc4cc3Cl)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39

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
SCHEMBL9566459 0.89 JAK2 (0.45) JAK2TYK2NPC1RAB9AGABRP
SCHEMBL10483438 0.87 NPC1 (0.40) NPC1RAB9ASIRT2GABRPGABRD
SCHEMBL10483372 0.87 HDAC1 (0.41) NPC1RAB9ASIRT2GABRPGABRD
SCHEMBL9566580 0.85 L3MBTL1 (0.42) JAK2TYK2NPC1RAB9AGABRP
SCHEMBL10483488 0.85 L3MBTL1 (0.45) JAK2TYK2NPC1RAB9AGABRP
SCHEMBL10483546 0.83 LMNA (0.45) NPC1RAB9ASIRT2GABRPGABRD
SCHEMBL9566563 0.83 TYK2 (0.49) JAK2TYK2NPC1RAB9AGABRP
SCHEMBL9566410 0.82 HDAC1 (0.42) NPC1RAB9ASIRT2GABRPGABRD
SCHEMBL10483353 0.82 SIRT2 (0.55) NPC1RAB9ASIRT2KDM4EMEN1
SCHEMBL9566552 0.81 GABRP (0.48) NPC1RAB9ASIRT2GABRPGABRD

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
Send feedback