SCHEMBL10646151

SCHEMBL10646151

CCN(CC)CCn1nc(-c2ccc(Cn3ccnc3)s2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.47
▸ CYP11B2 P19099 6/20 0.47
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TBXAS1 P24557 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ UHRF1 Q96T88 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 SCHEMBL10648421 0.99 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL10648854 0.81 CYP11B1 (0.47) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL10648690 0.80 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL10650460 0.80 CYP11B1 (0.46) CYP11B1CYP11B2KDM4ECYP2D6POLB
Hydrochloric Acid SCHEMBL10646340 0.80 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL10648181 0.80 CYP11B1 (0.46) CYP11B1CYP11B2KDM4ECYP2D6POLB
Hydrochloric Acid SCHEMBL10651008 0.80 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL10650408 0.79 CYP11B1 (0.45) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL10646977 0.79 CYP11B1 (0.45) CYP11B1CYP11B2KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL10648154 0.78 CYP11B1 (0.44) CYP11B1CYP11B2KMT2AMEN1KDM4E

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
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