SCHEMBL10982107

SCHEMBL10982107

O=C(c1c[nH]c(-c2ccccn2)n1)c1c[nH]c(-c2ccccn2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ ALPL P05186 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ F2 P00734 1/20 0.43
▸ F12 P00748 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ METAP1 P53582 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ METAP2 P50579 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42

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
SCHEMBL4414614 0.80 KMT2A (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
SCHEMBL8311607 0.77 KDM4E (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL18091913 0.75 F2 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL14157267 0.74 NPC1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL6924808 0.74 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL3327100 0.74 KDM4E (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL19691765 0.73 BTK (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL19691749 0.73 CBFB (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL5493272 0.72 NPC1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL17280240 0.71 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499097-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1985-02-12 — — US disclosed
US-4499097-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1985-02-12 — — US disclosed
US-4499097-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1985-02-12 — — US disclosed
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