SCHEMBL9221130

SCHEMBL9221130

[c]1cccnc1Cn1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 15/20 0.48
▸ CYP11B2 P19099 11/20 0.47
▸ CYP19A1 P11511 5/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ QPCT Q16769 1/20 0.47
▸ CYP4Z1 Q86W10 1/20 0.47
▸ QPCTL Q9NXS2 1/20 0.47
▸ CYP17A1 P05093 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42

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
SCHEMBL1865702 0.72 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL7389176 0.72 CYP19A1 (0.47) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL7391276 0.69 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL13105237 0.68 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL31408151 0.68 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL2716739 0.68 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL7390725 0.66 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL30523908 0.66 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL15179016 0.66 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL30523909 0.66 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1TBXAS1POLB

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-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 — — EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 — — US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 — — EP disclosed
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