SCHEMBL8052101

SCHEMBL8052101

COC(=O)C1=C(CBr)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 0.52
▸ CYP2C9 P11712 6/20 0.52
▸ LMNA P02545 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ GUSB P08236 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ MEN1 O00255 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
SCHEMBL8227499 0.91 ELANE (0.64) ELANECYP2C9ALDH1A1ADRB1HTR1A
SCHEMBL8053053 0.91 ELANE (0.64) ELANECYP2C9ALDH1A1ADRB1HTR1A
SCHEMBL10013423 0.87 ELANE (0.49) ELANECYP2C9LMNARECQLALDH1A1
SCHEMBL8055913 0.87 ELANE (0.65) ELANECYP2C9LMNARECQLALDH1A1
SCHEMBL10013425 0.85 ELANE (0.68) ELANECYP2C9LMNARECQLADRB1
SCHEMBL9914390 0.82 ELANE (0.64) ELANECYP2C9ALDH1A1ADRB1HTR1A
SCHEMBL14899941 0.80 ELANE (0.71) ELANECYP2C9
SCHEMBL1134170 0.80 ELANE (0.81) ELANECYP2C9CYP3A4
SCHEMBL6295870 0.80 ELANE (0.81) ELANECYP2C9CYP3A4
SCHEMBL8050837 0.80 ELANE (0.79) ELANECYP2C9LMNARECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009060206-A1 3,4,6,7-TETRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 — — WO disclosed
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