SCHEMBL8558988

SCHEMBL8558988

O=[N+]([O-])c1ccc(-c2ccncn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MAPT P10636 6/20 0.49
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PIK3CA P42336 3/20 0.47
▸ PIK3CB P42338 3/20 0.47
▸ PIK3CG P48736 3/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ APP P05067 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CASP1 P29466 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
SCHEMBL9903935 0.82 CYP2D6 (0.60) CYP3A4MAPTLMNACYP2D6
SCHEMBL28319646 0.81 POLB (0.62) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL2644131 0.80 NPC1 (0.55) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL3447074 0.78 MAPT (0.62) MEN1KMT2ACYP3A4NPC1RAB9A
SCHEMBL2615553 0.78 NPC1 (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27617094 0.77 RAB9A (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1409064 0.77 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL5142118 0.76 SMN1; SMN2 (0.50) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL11831593 0.76 RAB9A (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4781293 0.76 NPC1 (0.55) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 — — WO disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 — — EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 — — EP disclosed
CN-1098718-A Heterogeneous ring compound ZENECA LTD (GB) 1995-02-15 — — CN disclosed
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