SCHEMBL9533660

SCHEMBL9533660

Cc1ccc2c(c1)C(=O)N1CCN=C1N2N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MCOLN3 Q8TDD5 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
SCHEMBL9534710 0.88 KDM4E (0.38) HDAC8TP53LMNATSHRALDH1A1
SCHEMBL9537414 0.85 TSHR (0.46) HDAC8LMNATSHRALDH1A1ACHE
SCHEMBL9533307 0.82 TSHR (0.52) TP53LMNATSHRMEN1KMT2A
SCHEMBL9533982 0.82 TSHR (0.52) TP53LMNATSHRMEN1KMT2A
SCHEMBL9532198 0.80 TSHR (0.53) TP53LMNATSHRMEN1KMT2A
SCHEMBL9534186 0.73 TSHR (0.44) HDAC8TP53LMNATSHRMEN1
SCHEMBL9533704 0.73 TSHR (0.51) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL9533440 0.71 TSHR (0.39) TP53LMNATSHRMEN1KMT2A
SCHEMBL9532975 0.71 TSHR (0.39) TP53LMNATSHRMEN1KMT2A
SCHEMBL15517607 0.70 KMT2A (0.44) TP53TSHRMEN1KMT2AALDH1A1

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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