SCHEMBL10648332

SCHEMBL10648332

O=c1ccc(-c2cc(Cn3ccnc3)cs2)nn1CCN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ CYP11B1 P15538 8/20 0.36
▸ CYP11B2 P19099 7/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TBXAS1 P24557 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SIGMAR1 Q99720 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
SCHEMBL10649044 0.94 ACHE (0.40) ACHECYP11B1CYP11B2ALOX15MEN1
SCHEMBL10652461 0.91 CYP19A1 (0.36) CYP11B1CYP11B2CYP3A4TBXAS1CYP19A1
SCHEMBL10648690 0.83 CYP11B1 (0.46) ACHECYP11B1CYP11B2ALOX15MEN1
Hydrochloric Acid SCHEMBL10651008 0.82 CYP11B1 (0.46) ACHECYP11B1CYP11B2ALOX15MEN1
SCHEMBL10648854 0.82 CYP11B1 (0.47) ACHECYP11B1CYP11B2ALOX15MEN1
Hydrochloric Acid SCHEMBL10646340 0.81 CYP11B1 (0.46) ACHECYP11B1CYP11B2ALOX15MEN1
SCHEMBL10650408 0.78 CYP11B1 (0.45) ACHECYP11B1CYP11B2ALOX15MEN1
SCHEMBL10646977 0.78 CYP11B1 (0.45) ACHECYP11B1CYP11B2ALOX15MEN1
Hydrochloric Acid SCHEMBL10648154 0.77 CYP11B1 (0.44) ACHECYP11B1CYP11B2ALOX15MEN1
SCHEMBL10650460 0.75 CYP11B1 (0.46) ACHECYP11B1CYP11B2CYP3A4CYP2D6

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 1 patent. 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
Send feedback