SCHEMBL8006619

SCHEMBL8006619

Cc1cccc(C2=CCCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 2/20 0.49
▸ PARP10 Q53GL7 1/20 0.42
▸ PARP11 Q9NR21 1/20 0.42
▸ FYN P06241 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ ACHE P22303 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ HTR7 P34969 2/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL31038279 0.86 NISCH (0.36) NISCHHTR2CNPC1
SCHEMBL31225112 0.80 OPRM1 (0.32) NISCH
SCHEMBL7163648 0.76 NISCH (0.39) NISCHPARP10PARP11HTR2CNPC1
SCHEMBL9585140 0.74 HTR2C (0.51) PARP10PARP11IDO1HTR2C
SCHEMBL14904833 0.71 ADRA2A (0.54) NISCHFYNCLK4DYRK1BHTR7
SCHEMBL15804315 0.70 HTR7 (0.48) NISCHPARP10PARP11HTR7CHRNB4
Hydrochloric Acid SCHEMBL9310385 0.70 ADRA2A (0.53) NISCHFYNCLK4DYRK1BHTR7
SCHEMBL31471473 0.70 ACHE (0.69) NISCHACHEIDO1METAP2CHRNB4
SCHEMBL29373699 0.70 ACHE (0.69) NISCHACHEIDO1METAP2CHRNB4
SCHEMBL301247 0.70 ACHE (0.69) NISCHACHEIDO1METAP2CHRNB4

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
US-6130180-A Catalyst for the polymerization of alpha-olefins containing substituted amino silane compounds MONTELL NORTH AMERICA INC. (US) 2000-10-10 — — US disclosed
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