SCHEMBL11097837

SCHEMBL11097837

N#Cc1nnc2c(sc3nc(-c4ccccc4)ccc32)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 4/20 0.47
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ MAPT P10636 7/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ TLR9 Q9NR96 4/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL11479791 0.75 LIMK1 (0.52) LIMK1NPC1RAB9AMAPTHTT
SCHEMBL20467172 0.69 LIMK1 (0.52) LIMK1NPC1RAB9AMAPTHTT
SCHEMBL11478409 0.68 KDM4E (0.60) LIMK1NPC1RAB9AMAPTHTT
SCHEMBL19805093 0.65 LIMK1 (0.53) LIMK1NPC1RAB9AMAPTHTT
SCHEMBL4892520 0.65 LIMK1 (0.72) LIMK1NPC1RAB9AMAPTHTT
SCHEMBL19805136 0.64 LIMK1 (0.71) LIMK1NPC1RAB9AMAPTMEN1
SCHEMBL11478003 0.64 LIMK1 (0.49) LIMK1NPC1RAB9AMAPTHTT
SCHEMBL4901470 0.64 LIMK1 (1.00) LIMK1NPC1RAB9AMAPTALDH1A1
SCHEMBL19805138 0.62 LIMK1 (0.56) LIMK1NPC1RAB9AMAPTHTT
SCHEMBL9995225 0.62 RAB9A (0.46) LIMK1NPC1RAB9AMAPTMEN1

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-0066124-B1 PYRIDOTHIENOPYRIDAZINE COMPOUNDS USV PHARMACEUTICAL CORPORATION (US) 1984-09-19 — — EP disclosed
EP-0066124-A1 Pyridothienopyridazine compounds USV PHARMACEUTICAL CORPORATION (US) 1982-12-08 — — EP disclosed
US-4355164-A Pyridothienopyridazine anti-allergy compounds USV PHARMACEUTICAL CORPORATION (US) 1982-10-19 — — US disclosed
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