SCHEMBL30659509

SCHEMBL30659509

O=C(c1cccc(Br)c1)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.66
▸ NPC1 O15118 4/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ RAB9A P51151 3/20 0.60
▸ PKM P14618 1/20 0.60
▸ AGTR1 P30556 1/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ HSD17B14 Q9BPX1 1/20 0.55
▸ TLR7 Q9NYK1 2/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL7078280 1.00 KMT2A (0.66) KMT2ANPC1MEN1RAB9APKM
SCHEMBL7079612 0.86 KMT2A (0.65) KMT2ANPC1MEN1RAB9APKM
SCHEMBL17200636 0.84 NPC1 (0.60) KMT2ANPC1MEN1RAB9APKM
SCHEMBL28639316 0.81 TLR7 (0.71) KMT2ANPC1MEN1RAB9APKM
SCHEMBL23572370 0.81 KMT2A (0.73) KMT2ANPC1MEN1RAB9APKM
SCHEMBL1156133 0.81 KMT2A (0.72) KMT2ANPC1MEN1RAB9AAGTR1
SCHEMBL12441772 0.80 KMT2A (0.66) KMT2ANPC1MEN1RAB9APKM
SCHEMBL8586217 0.80 KMT2A (0.66) KMT2ANPC1MEN1RAB9APKM
SCHEMBL3836551 0.80 KMT2A (0.66) KMT2ANPC1RAB9APKMHSD17B14
SCHEMBL22172012 0.80 KMT2A (0.71) KMT2ANPC1MEN1RAB9APKM

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-111788212-B Spiro-containing platinum (II) emitters with adjustable emission energy and synthesis thereof 香港大学 2023-11-10 — — CN disclosed
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