SCHEMBL9534710

SCHEMBL9534710

Cc1ccc2c(c1)C(=O)N1CCN=C1N2N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ AR P10275 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL9533660 0.88 HDAC8 (0.36) MAPTALDH1A1HDAC8LMNATP53
SCHEMBL9534186 0.86 TSHR (0.44) KDM4EMAPTHDAC8LMNATP53
SCHEMBL9532968 0.83 TSHR (0.50) KDM4EMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL9537414 0.73 TSHR (0.46) KDM4EMAPTALDH1A1MAPK1HDAC8
SCHEMBL9534591 0.72 MAPT (0.38) KDM4EMAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL11706050 0.72 CA9 (0.41) KDM4EMAPTL3MBTL1ALDH1A1PRKDC
SCHEMBL9533704 0.71 TSHR (0.51) MAPTL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL9532198 0.70 TSHR (0.53) MAPTL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL9533307 0.69 TSHR (0.52) ALDH1A1LMNATP53TSHRHSD17B10
SCHEMBL9533982 0.69 TSHR (0.52) ALDH1A1LMNATP53TSHRHSD17B10

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 3 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 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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