SCHEMBL9400646

SCHEMBL9400646

CCc1c(C)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CA12 O43570 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CTSV O60911 2/20 0.49
▸ CTSL P07711 2/20 0.49
▸ PARP1 P09874 1/20 0.49

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 0.88 MAPT (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8542497 0.85 MAPT (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9400712 0.85 KCNH2 (0.63) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6765948 0.84 HTR6 (0.59) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8589137 0.82 HTR6 (0.61) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3571118 0.82 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL17505145 0.81 ALDH1A1 (0.57) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4011471 0.81 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30312308 0.81 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5889822 0.80 ALDH1A1 (0.71) MAPTMEN1KMT2AALDH1A1POLB

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 5 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
CN-1076197-A The preparation method of indole urea derivative BEECHAM GROUP PLC (GB) 1993-09-15 — — CN 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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