SCHEMBL10648690

SCHEMBL10648690

O=c1ccc(-c2ccc(Cn3ccnc3)s2)nn1CCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.46
▸ CYP11B2 P19099 4/20 0.46
▸ ACHE P22303 1/20 0.41
▸ ALOX15 P16050 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL10651008 0.99 CYP11B1 (0.46) CYP11B1CYP11B2ACHEALOX15MEN1
SCHEMBL10648854 0.99 CYP11B1 (0.47) CYP11B1CYP11B2ACHEALOX15MEN1
Hydrochloric Acid SCHEMBL10646340 0.98 CYP11B1 (0.46) CYP11B1CYP11B2ACHEALOX15MEN1
SCHEMBL10646977 0.94 CYP11B1 (0.45) CYP11B1CYP11B2ACHEALOX15MEN1
SCHEMBL10650408 0.94 CYP11B1 (0.45) CYP11B1CYP11B2ACHEALOX15MEN1
Hydrochloric Acid SCHEMBL10648154 0.93 CYP11B1 (0.44) CYP11B1CYP11B2ACHEALOX15MEN1
SCHEMBL10650460 0.92 CYP11B1 (0.46) CYP11B1CYP11B2ACHECYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10648181 0.91 CYP11B1 (0.46) CYP11B1CYP11B2ACHECYP3A4CYP2D6
SCHEMBL10648332 0.83 ACHE (0.39) CYP11B1CYP11B2ACHEALOX15MEN1
SCHEMBL11115052 0.81 SIGMAR1 (0.41) ALOX15MEN1CYP3A4GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 — — EP disclosed
EP-0128502-A1 Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-12-19 — — EP disclosed
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