SCHEMBL9254043

SCHEMBL9254043

CCCCCCCn1c(=O)cc(O)c2ccccc21

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.89
KDM4E B2RXH2 8/20 0.68
MAPT P10636 2/20 0.59
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HPGD P15428 3/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
PGR P06401 1/20 0.52
RORA P35398 1/20 0.52
RORC P51449 1/20 0.52
RORB Q92753 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL30197876 1.00 ALDH1A1 (0.89) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL9262842 1.00 ALDH1A1 (0.89) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL1790843 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL7462175 0.88 ALDH1A1 (0.83) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL3291974 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL9255920 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL7435320 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL9535544 0.82 KDM4E (1.00) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL7437593 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL11828707 0.80 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
US-5378694-A Herpes viricide, hypotensive agent SCHERING CORPORATION (US) 1995-01-03 US disclosed
EP-0550464-A1 ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS SCHERING CORPORATION (US) 1993-07-14 EP disclosed
EP-0547145-A1 ANTIVIRAL 2(1H)-QUINOLINONE COMPOUNDS SCHERING CORPORATION (US) 1993-06-23 EP disclosed
US-5190956-A Certain N-substituted 3-oximino-2,4-dioxoquinolin-2,4-(1H)diones useful for treating viral infections SCHERING CORPORATION (US) 1993-03-02 US disclosed
US-5179093-A Viricides SCHERING CORPORATION (US) 1993-01-12 US disclosed
US-5179107-A Herpes SCHERING CORPORATION (US) 1993-01-12 US disclosed
WO-1992004328-A1 ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed
WO-1992004326-A1 ANTIVIRAL COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed