SCHEMBL9400712

SCHEMBL9400712

CCCCCCc1c(C)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.63
▸ POLB P06746 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CDK2 P24941 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ CTSV O60911 1/20 0.44

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
SCHEMBL5653778 0.91 MAPT (0.51) KCNH2POLBMEN1KMT2AMAPT
SCHEMBL9400646 0.85 MAPT (0.54) KCNH2POLBMEN1KMT2AMAPT
SCHEMBL6765948 0.84 HTR6 (0.59) KCNH2POLBMEN1KMT2AMAPT
SCHEMBL8589137 0.82 HTR6 (0.61) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8542497 0.80 MAPT (0.53) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL27658173 0.78 MEN1 (0.50) KCNH2POLBMEN1KMT2AMAPT
SCHEMBL17144811 0.77 KCNH2 (1.00) KCNH2POLBMEN1KMT2AMAPT
SCHEMBL3571118 0.76 ALDH1A1 (0.51) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8671558 0.75 KCNH2 (0.53) KCNH2POLBMEN1KMT2AMAPT
SCHEMBL30312308 0.75 ALDH1A1 (0.68) POLBMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 — — US disclosed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 — — WO disclosed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 — — EP disclosed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 — — WO disclosed
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