SCHEMBL9642002

SCHEMBL9642002

C=CCOC(=O)CCc1cncn1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 14/20 0.69
▸ CYP11B2 P19099 14/20 0.69
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CASP1 P29466 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39

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
SCHEMBL9642301 0.84 CYP11B1 (0.77) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9642312 0.82 CYP11B1 (1.00) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9092547 0.80 CYP11B1 (0.73) CYP11B1CYP11B2IDO1HSD11B1
SCHEMBL9123088 0.78 CYP11B1 (0.67) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL250955 0.77 TDP1 (0.68) PKMSMN1; SMN2CASP1TDP1NPSR1
SCHEMBL9092259 0.76 CYP11B1 (0.68) CYP11B1CYP11B2TDP1IDO1HSD11B1
SCHEMBL9092962 0.75 CYP11B1 (0.72) CYP11B1CYP11B2SMN1; SMN2IDO1
SCHEMBL6774918 0.72 CYP11B1 (0.82) CYP11B1CYP11B2TDP1IDO1
SCHEMBL9570444 0.72 CYP11B1 (0.68) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL11221097 0.72 TBXAS1 (0.49) PKMSMN1; SMN2CASP1TDP1

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-0311447-B1 AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1992-08-26 — — EP disclosed
US-5098923-A Antiestrogens, anticarcinogenic agents or fungicides FARMOS-YHTYMA OY (FI) 1992-03-24 — — US disclosed
EP-0311447-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1989-04-12 — — EP disclosed
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