SCHEMBL9579151

SCHEMBL9579151

Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.50
▸ LMNA P02545 2/20 0.44
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL29876207 1.00 — —
SCHEMBL8356506 1.00 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL29900242 1.00 — —
SCHEMBL9583239 1.00 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL175612 1.00 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL29485005 1.00 — —
SCHEMBL25853 1.00 — —
SCHEMBL8465809 1.00 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
Bromide SCHEMBL3872913 0.94 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB
Water SCHEMBL2230233 0.94 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB

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
US-5258457-A MIXING UNSATURATED POLYMER WITH AN AMINO RESIN IN THE PRESENCE OF A PROTON-DONATING ACID CATALYST SHELL OIL COMPANY (US) 1993-11-02 — — US disclosed
US-5247014-A Block copolymers of monoalkenyl aromatic hydrocarbon and conjugated diolefin modified with an amino resin SHELL OIL COMPANY (US) 1993-09-21 — — US disclosed
US-5124405-A Crosslinking with amino resins in presence of acid catalyst SHELL OIL COMPANY (US) 1992-06-23 — — US disclosed
US-5011882-A Acrylic resin powder, acrylic graft polymer and curing agent NIPPON PAINT CO., LTD. (JP) 1991-04-30 — — US disclosed
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