SCHEMBL9532968

SCHEMBL9532968

O=C1c2ccccc2N(N2CCOCC2)C2=NCCN12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ UHRF1 Q96T88 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL9532198 0.88 TSHR (0.53) TSHRALDH1A1CA1CA2DNMT1
SCHEMBL9533307 0.86 TSHR (0.52) TSHRALDH1A1CA1CA2DNMT1
SCHEMBL9533982 0.86 TSHR (0.52) TSHRALDH1A1CA1CA2DNMT1
SCHEMBL9533704 0.85 TSHR (0.51) TSHRALDH1A1CA1CA2ALDH3A1
SCHEMBL9534710 0.83 KDM4E (0.38) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL9534186 0.83 TSHR (0.44) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL9534591 0.81 MAPT (0.38) TSHRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL11477847 0.75 TSHR (0.56) TSHRALDH1A1DNMT1RAD52UHRF1
SCHEMBL9533673 0.72 TSHR (0.54) TSHRALDH1A1DNMT1RAD52UHRF1
SCHEMBL11852580 0.72 TSHR (0.54) TSHRALDH1A1DNMT1RAD52UHRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0360261-B1 Substituted Imidazol[2,1-b] quinazolin-5(3H)-ones and related tricyclic compounds MERRELL DOW PHARMA (US) 1993-10-27 — — EP claimed
EP-0360261-A1 Substituted Imidazol[2,1-b] quinazolin-5(3H)-ones and related tricyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-28 — — EP claimed
US-4871732-A Substituted imidazo(2,1-b)quinazolin-5(3H)-ones and related tricyclic compounds and use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-03 — — US claimed
JP-2191277-A — — None — — JP disclosed
EP-0360261-B1 Substituted Imidazol[2,1-b] quinazolin-5(3H)-ones and related tricyclic compounds MERRELL DOW PHARMA (US) 1993-10-27 — — EP disclosed
JP-H02191277-A SUBSTITUTED IMIDAZO(2,1-B)QUNAZOLIN-5(3H)-ONES AND RELATED TRICYCLIC COMPOUND MERRELL DOW PHARMACEUT INC 1990-07-27 — — JP disclosed
EP-0360261-A1 Substituted Imidazol[2,1-b] quinazolin-5(3H)-ones and related tricyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-28 — — EP disclosed
US-4871732-A Substituted imidazo(2,1-b)quinazolin-5(3H)-ones and related tricyclic compounds and use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-03 — — US disclosed
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