SCHEMBL8643077

SCHEMBL8643077

Cc1cc(-c2ccc([N+](=O)[O-])cc2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RAB9A P51151 6/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAD51 Q06609 1/20 0.45
▸ MMP2 P08253 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
SCHEMBL4781293 0.83 NPC1 (0.55) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11166231 0.77 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18850043 0.76 FAAH (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2252310 0.75 HTT (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2627195 0.75 DYRK1A (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8558988 0.74 MEN1 (0.53) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL12910170 0.73 CYP1A2 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6845003 0.73 KMO (0.54) MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL27871810 0.73 MEN1 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30412356 0.72 ASIC3 (0.59) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 — — WO disclosed
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