SCHEMBL10691334

SCHEMBL10691334

O=c1ccc(-c2cccc(Br)c2)nn1CN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MET P08581 6/20 0.43
▸ PRKDC P78527 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL10685952 0.91 MEN1 (0.51) TSHRMEN1KMT2AMETHTT
SCHEMBL10690994 0.89 MEN1 (0.49) MEN1KMT2AMETPOLBHTT
SCHEMBL10685139 0.88 MEN1 (0.48) MEN1KMT2AMETPOLBHTT
SCHEMBL10687459 0.80 KDM4E (0.49) TSHRMEN1KMT2AMETPOLB
SCHEMBL10681289 0.77 MEN1 (0.54) TSHRMEN1KMT2AMETHTT
SCHEMBL10687571 0.77 MEN1 (0.54) TSHRMEN1KMT2AMETPOLB
SCHEMBL10681618 0.76 KDM4E (0.46) TSHRMEN1KMT2AMETPOLB
SCHEMBL10688671 0.74 KDM4E (0.43) TSHRMEN1KMT2AMETPOLB
SCHEMBL10689612 0.74 MEN1 (0.54) MEN1KMT2AMETHTTLMNA
SCHEMBL10688478 0.71 PDE4D (0.49) MEN1KMT2APRKDCPOLBCNR1

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
US-4738961-A FUNGICIDES SANKYO COMPANY, LIMITED (JP) 1988-04-19 — — US disclosed
EP-0072238-B1 PYRIDAZINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN AGRICULTURAL COMPOSITIONS AND THE TREATMENT OF SEED AND PLANTS SANKYO COMPANY LIMITED (JP) 1985-11-06 — — EP disclosed
EP-0072238-A1 Pyridazinone derivatives, their preparation and their use in agricultural compositions and the treatment of seed and plants SANKYO COMPANY LIMITED (JP) 1983-02-16 — — EP disclosed
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