SCHEMBL9532198

SCHEMBL9532198

O=C1c2ccccc2N(N2CCCC2)C2=NCCN12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.53
▸ DNMT1 P26358 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ UHRF1 Q96T88 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9533307 0.99 TSHR (0.52) TSHRDNMT1RAD52UHRF1ALDH1A1
SCHEMBL9533982 0.99 TSHR (0.52) TSHRDNMT1RAD52UHRF1ALDH1A1
SCHEMBL9533704 0.89 TSHR (0.51) TSHRDNMT1RAD52UHRF1ALDH1A1
SCHEMBL9532968 0.88 TSHR (0.50) TSHRDNMT1RAD52UHRF1ALDH1A1
SCHEMBL9537414 0.80 TSHR (0.46) TSHRALDH1A1LMNAMAPTMAPK1
SCHEMBL9533660 0.80 HDAC8 (0.36) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL9533657 0.80 TSHR (0.39) TSHRDNMT1RAD52UHRF1ALDH1A1
SCHEMBL9532975 0.79 TSHR (0.39) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL9533440 0.79 TSHR (0.39) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL11477847 0.78 TSHR (0.56) TSHRDNMT1RAD52UHRF1ALDH1A1

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 6 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
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
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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